Isobutyl-Kation | 19252-54-1

• 分子结构分类: 有机化合物 - 碳氢化合物 - 饱和烃
• 英文名称: Isobutyl-Kation
• 英文别名: isobutyl cation；2-methylpropane
• CAS: 19252-54-1
• 化学式: C₄H₉
• 分子量: 57.1155
• InChiKey: DOXFILCLISGXIX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  4
• 可旋转键数：
  0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  苯甲酸苯酯 、 Isobutyl-Kation 生成 叔丁基苯醚 、 benzoyl cation
  参考文献：
  名称：

  Reaction of ammonia with accelerated benzoyl ions under multiple-collison conditions in a triple quadrupole instrument

  摘要：

  AbstractThe reaction of benzoyl ion with ammonia in multiple‐collision conditions in the second quadrupole assembly of a triple quadrupole mass spectrometer at (laboratory) ion kinetic energies from 0 to 20 eV produced the even‐electron ions [C6H5]+, [C6H5NH3·(NH3)m]+ (m = 0, 1) and [C6H5CONH3·(NH3)n]+ (n = 0, 1, 2, 3) and the odd‐electron ions [C6H4NH3·(NH3)p]+· (p = 0, 1). Thermochemical information could not be obtained under multiple‐collision conditions: both exothermic and endothermic reactions were observed, with no translational‐energy onset measurable for the endothermic processes, nor decrease in the yield of the exothermic processes at high energies. The behaviour of cluster‐ion intensities as pressure varied was qualitatively as expected. There are pressure and energy regions where spectra change little; if this feature were to be general, it would point to some utility for these conditions in qualitative analysis.

  DOI：

  10.1002/oms.1210220304
• 作为产物：
  描述：

  thiiranium 、 异丁烯 生成 环硫乙烷 、 Isobutyl-Kation
  参考文献：
  名称：

  Proton affinities and photoelectron spectra of three-membered-ring heterocycles

  摘要：

  DOI：

  10.1021/ja00536a004

文献信息

• Methyl-substituted cyclopropylcarbinyl (alias vinyl-bridged ethylene) carbocations. Molecular orbital calculations and criteria for structure representation-nomenclature decisions
  作者：Lawrence R. Schmitz、Ted S. Sorensen

  DOI：10.1021/ja00373a045

  日期：1982.5
• Proton affinities and photoelectron spectra of three-membered-ring heterocycles
  作者：Donald H. Aue、Hugh M. Webb、William R. Davidson、Mariano Vidal、Michael T. Bowers、Harold Goldwhite、Lawrence E. Vertal、John E. Douglas、Peter A. Kollman、George L. Kenyon

  DOI：10.1021/ja00536a004

  日期：1980.7
• Reaction of ammonia with accelerated benzoyl ions under multiple-collison conditions in a triple quadrupole instrument
  作者：Earl L. White、Jean-Claude Tabet、Maurice M. Bursey

  DOI：10.1002/oms.1210220304

  日期：1987.3

  AbstractThe reaction of benzoyl ion with ammonia in multiple‐collision conditions in the second quadrupole assembly of a triple quadrupole mass spectrometer at (laboratory) ion kinetic energies from 0 to 20 eV produced the even‐electron ions [C6H5]+, [C6H5NH3·(NH3)m]+ (m = 0, 1) and [C6H5CONH3·(NH3)n]+ (n = 0, 1, 2, 3) and the odd‐electron ions [C6H4NH3·(NH3)p]+· (p = 0, 1). Thermochemical information could not be obtained under multiple‐collision conditions: both exothermic and endothermic reactions were observed, with no translational‐energy onset measurable for the endothermic processes, nor decrease in the yield of the exothermic processes at high energies. The behaviour of cluster‐ion intensities as pressure varied was qualitatively as expected. There are pressure and energy regions where spectra change little; if this feature were to be general, it would point to some utility for these conditions in qualitative analysis.