CID 76181

(1,1'-bicyclohexyl)-1-ol

Structural Information

Molecular Formula
C12H22O
SMILES
C1CCC(CC1)C2(CCCCC2)O
InChI
InChI=1S/C12H22O/c13-12(9-5-2-6-10-12)11-7-3-1-4-8-11/h11,13H,1-10H2
InChIKey
PVSNMDAHWMHSBD-UHFFFAOYSA-N
Compound name
1-cyclohexylcyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

338
Patents

182.16707 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.17435 145.8
[M+Na]+ 205.15629 147.5
[M-H]- 181.15979 149.2
[M+NH4]+ 200.20089 166.1
[M+K]+ 221.13023 145.3
[M+H-H2O]+ 165.16433 139.6
[M+HCOO]- 227.16527 160.8
[M+CH3COO]- 241.18092 177.2
[M+Na-2H]- 203.14174 149.2
[M]+ 182.16652 135.3
[M]- 182.16762 135.3
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