CID 79132

3,5,5-trimethylcyclohexene

Structural Information

Molecular Formula
C9H16
SMILES
CC1CC(CC=C1)(C)C
InChI
InChI=1S/C9H16/c1-8-5-4-6-9(2,3)7-8/h4-5,8H,6-7H2,1-3H3
InChIKey
CBERVMGFVLWZSU-UHFFFAOYSA-N
Compound name
3,5,5-trimethylcyclohexene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

181
Patents

124.1252 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.13248 127.2
[M+Na]+ 147.11442 140.0
[M+NH4]+ 142.15902 138.9
[M+K]+ 163.08836 130.8
[M-H]- 123.11792 130.5
[M+Na-2H]- 145.09987 135.7
[M]+ 124.12465 130.2
[M]- 124.12575 130.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe