CID 16036

3-cyclohexylphenol

Structural Information

Molecular Formula

C₁₂H₁₆O

SMILES

C1CCC(CC1)C2=CC(=CC=C2)O

InChI

InChI=1S/C12H16O/c13-12-8-4-7-11(9-12)10-5-2-1-3-6-10/h4,7-10,13H,1-3,5-6H2

InChIKey

WFKNYMUYMWAGCV-UHFFFAOYSA-N

Compound name

3-cyclohexylphenol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1029
Patents: 176.12012 Da
Monoisotopic Mass: 4.1
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]+	177.12740	139.8
[M+Na]+	199.10934	152.9
[M+NH4]+	194.15394	149.8
[M+K]+	215.08328	145.1
[M-H]-	175.11284	144.6
[M+Na-2H]-	197.09479	148.2
[M]+	176.11957	143.0
[M]-	176.12067	143.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe