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Stereochemical effects in the electron impact mass spectra of cis–trans isomeric 1,2,3,5‐tetramethylcyclohexanes and some trimethylcyclohexanes
Author(s) -
Herzschuh R.,
Mann G.,
Rennecke D.
Publication year - 1985
Publication title -
organic mass spectrometry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.475
H-Index - 121
eISSN - 1096-9888
pISSN - 0030-493X
DOI - 10.1002/oms.1210200204
Subject(s) - ion , mass spectrum , chemistry , electron ionization , spectral line , abundance (ecology) , strain (injury) , stereochemistry , medicinal chemistry , organic chemistry , physics , ionization , medicine , astronomy , fishery , biology
The mass spectra of 10 isomeric trimethylcyclohexanes and six cis–trans isomeric 1,2,3,5‐tetramethylcyclohexanes are discussed. The thermochemically stable isomers show a higher abundance of the [MCH 3 ] + ions and a lower abundance of the [MC 2 H 5 ] + ions than the strained isomers. The log of the intensity ratio for loss of methyl and ethyl from the molecular ions correlates well with the strain energies and with the mean number of gauche arrangements of the stereoisomers.