CID 68153705

Schembl11894644

Structural Information

Molecular Formula

C₁₂H₁₄O₃

SMILES

C1CCC(C1)(C2=CC=C(C=C2)C(=O)O)O

InChI

InChI=1S/C12H14O3/c13-11(14)9-3-5-10(6-4-9)12(15)7-1-2-8-12/h3-6,15H,1-2,7-8H2,(H,13,14)

InChIKey

JZIOBRQLRLELCM-UHFFFAOYSA-N

Compound name

4-(1-hydroxycyclopentyl)benzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 40
Patents: 206.0943 Da
Monoisotopic Mass: 1.6
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]+	207.10158	145.7
[M+Na]+	229.08352	151.9
[M-H]-	205.08702	149.7
[M+NH4]+	224.12812	166.6
[M+K]+	245.05746	149.0
[M+H-H2O]+	189.09156	140.6
[M+HCOO]-	251.09250	165.5
[M+CH3COO]-	265.10815	178.3
[M+Na-2H]-	227.06897	148.7
[M]+	206.09375	141.9
[M]-	206.09485	141.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe