CID 94327

2-cyclohexylcyclohexanol

Structural Information

Molecular Formula

C₁₂H₂₂O

SMILES

C1CCC(CC1)C2CCCCC2O

InChI

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

InChIKey

YTWWBKKPWACPPB-UHFFFAOYSA-N

Compound name

2-cyclohexylcyclohexan-1-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 273
Patents: 182.16707 Da
Monoisotopic Mass: 4.0
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]+	183.174346	144.6
[M+Na]+	205.156288	146.3
[M-H]-	181.159794	148.0
[M+NH4]+	200.200893	163.1
[M+K]+	221.130228	143.8
[M+H-H2O]+	165.164330	138.1
[M+HCOO]-	227.165271	159.6
[M+CH3COO]-	241.180921	178.7
[M+Na-2H]-	203.141736	146.4
[M]+	182.16652142	134.2
[M]-	182.16761858	134.2

Literature stripe

literature stripe

Patent stripe

patents stripe