CID 76838

1,2-dicyclohexylethane

Structural Information

Molecular Formula
C14H26
SMILES
C1CCC(CC1)CCC2CCCCC2
InChI
InChI=1S/C14H26/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14/h13-14H,1-12H2
InChIKey
IBLVSWYGUFGDMF-UHFFFAOYSA-N
Compound name
2-cyclohexylethylcyclohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2311
Patents

194.20345 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.210726 150.0
[M+Na]+ 217.192668 150.3
[M-H]- 193.196174 154.1
[M+NH4]+ 212.237273 168.5
[M+K]+ 233.166608 147.8
[M+H-H2O]+ 177.200710 142.7
[M+HCOO]- 239.201651 165.6
[M+CH3COO]- 253.217301 184.4
[M+Na-2H]- 215.178116 151.8
[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

literature stripe

Patent stripe

patents stripe