CID 11416

1,2-dimethylcyclohexane

Structural Information

Molecular Formula
C8H16
SMILES
CC1CCCCC1C
InChI
InChI=1S/C8H16/c1-7-5-3-4-6-8(7)2/h7-8H,3-6H2,1-2H3
InChIKey
KVZJLSYJROEPSQ-UHFFFAOYSA-N
Compound name
1,2-dimethylcyclohexane
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

11
References

19050
Patents

112.1252 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.132476 124.2
[M+Na]+ 135.114418 129.9
[M-H]- 111.117924 127.4
[M+NH4]+ 130.159023 147.2
[M+K]+ 151.088358 129.2
[M+H-H2O]+ 95.122460 119.4
[M+HCOO]- 157.123401 144.8
[M+CH3COO]- 171.139051 170.7
[M+Na-2H]- 133.099866 129.4
[M]+ 112.12465142 119.8
[M]- 112.12574858 119.8
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