CID 41199

1-methyl-2-(2-methylcyclohexyl)cyclohexane

Structural Information

Molecular Formula
C14H26
SMILES
CC1CCCCC1C2CCCCC2C
InChI
InChI=1S/C14H26/c1-11-7-3-5-9-13(11)14-10-6-4-8-12(14)2/h11-14H,3-10H2,1-2H3
InChIKey
KTTDAJWGCZKPKL-UHFFFAOYSA-N
Compound name
1-methyl-2-(2-methylcyclohexyl)cyclohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

194.20345 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.210726 149.2
[M+Na]+ 217.192668 151.5
[M-H]- 193.196174 154.1
[M+NH4]+ 212.237273 168.4
[M+K]+ 233.166608 149.0
[M+H-H2O]+ 177.200710 142.5
[M+HCOO]- 239.201651 164.9
[M+CH3COO]- 253.217301 186.5
[M+Na-2H]- 215.178116 149.8
[M]+ 194.20290142 140.3
[M]- 194.20399858 140.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe