CID 817788

1248776-24-0

Structural Information

Molecular Formula

C₁₃H₁₆O₃

SMILES

C1CC(CCC1C2=CC=CC=C2)(C(=O)O)O

InChI

InChI=1S/C13H16O3/c14-12(15)13(16)8-6-11(7-9-13)10-4-2-1-3-5-10/h1-5,11,16H,6-9H2,(H,14,15)

InChIKey

ACEIAAYLUZQYER-UHFFFAOYSA-N

Compound name

1-hydroxy-4-phenylcyclohexane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 220.10994 Da
Monoisotopic Mass: 1.9
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]+	221.117216	149.9
[M+Na]+	243.099158	154.8
[M-H]-	219.102664	153.4
[M+NH4]+	238.143763	168.3
[M+K]+	259.073098	151.9
[M+H-H2O]+	203.107200	144.0
[M+HCOO]-	265.108141	167.2
[M+CH3COO]-	279.123791	181.8
[M+Na-2H]-	241.084606	153.8
[M]+	220.10939142	144.4
[M]-	220.11048858	144.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe