CID 15319

1-phenylcyclohexanol

Structural Information

Molecular Formula

C₁₂H₁₆O

SMILES

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

InChI

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

InChIKey

DTTDXHDYTWQDCS-UHFFFAOYSA-N

Compound name

1-phenylcyclohexan-1-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1755
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	140.9
[M+Na]+	199.10934	153.7
[M+NH4]+	194.15394	152.4
[M+K]+	215.08328	144.1
[M-H]-	175.11284	145.6
[M+Na-2H]-	197.09479	150.9
[M]+	176.11957	144.3
[M]-	176.12067	144.3

Literature stripe

literature stripe

Patent stripe

patents stripe