CID 75518

4-cyclohexylcyclohexanol

Structural Information

Molecular Formula

C₁₂H₂₂O

SMILES

C1CCC(CC1)C2CCC(CC2)O

InChI

InChI=1S/C12H22O/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h10-13H,1-9H2

InChIKey

AFKMHDZOVNDWLO-UHFFFAOYSA-N

Compound name

4-cyclohexylcyclohexan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 451
Patents: 182.16707 Da
Monoisotopic Mass: 3.8
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	145.0
[M+Na]+	205.15629	155.3
[M+NH4]+	200.20089	154.8
[M+K]+	221.13023	148.1
[M-H]-	181.15979	149.2
[M+Na-2H]-	203.14174	150.5
[M]+	182.16652	147.5
[M]-	182.16762	147.5

Literature stripe

literature stripe

Patent stripe

patents stripe