CID 7094

Bicyclohexyl

Structural Information

Molecular Formula
C12H22
SMILES
C1CCC(CC1)C2CCCCC2
InChI
InChI=1S/C12H22/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h11-12H,1-10H2
InChIKey
WVIIMZNLDWSIRH-UHFFFAOYSA-N
Compound name
cyclohexylcyclohexane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

32
References

43423
Patents

166.17215 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.17943 141.0
[M+Na]+ 189.16137 142.1
[M-H]- 165.16487 145.5
[M+NH4]+ 184.20597 160.6
[M+K]+ 205.13531 140.1
[M+H-H2O]+ 149.16941 134.1
[M+HCOO]- 211.17035 157.3
[M+CH3COO]- 225.18600 178.3
[M+Na-2H]- 187.14682 143.9
[M]+ 166.17160 130.6
[M]- 166.17270 130.6
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

No patent data available for this compound.