CID 79497

4-phenylcyclohexanol

Structural Information

Molecular Formula

C₁₂H₁₆O

SMILES

C1CC(CCC1C2=CC=CC=C2)O

InChI

InChI=1S/C12H16O/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-5,11-13H,6-9H2

InChIKey

YVVUSIMLVPJXMY-UHFFFAOYSA-N

Compound name

4-phenylcyclohexan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 638
Patents: 176.12012 Da
Monoisotopic Mass: 2.6
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	138.7
[M+Na]+	199.10934	143.6
[M-H]-	175.11284	143.3
[M+NH4]+	194.15394	157.9
[M+K]+	215.08328	140.5
[M+H-H2O]+	159.11738	132.3
[M+HCOO]-	221.11832	158.2
[M+CH3COO]-	235.13397	177.6
[M+Na-2H]-	197.09479	143.7
[M]+	176.11957	132.7
[M]-	176.12067	132.7

Literature stripe

literature stripe

Patent stripe

patents stripe