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: 275
Patents: 182.16707 Da
Monoisotopic Mass: 3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	183.17435	146.6
[M+Na]+	205.15629	156.6
[M+NH4]+	200.20089	157.8
[M+K]+	221.13023	147.5
[M-H]-	181.15979	150.7
[M+Na-2H]-	203.14174	153.7
[M]+	182.16652	149.2
[M]-	182.16762	149.2

Literature stripe

literature stripe

Patent stripe

patents stripe