CID 735307

4-(cyclopentyloxy)benzoic acid

Structural Information

Molecular Formula

C₁₂H₁₄O₃

SMILES

C1CCC(C1)OC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C12H14O3/c13-12(14)9-5-7-11(8-6-9)15-10-3-1-2-4-10/h5-8,10H,1-4H2,(H,13,14)

InChIKey

NSTJDFGPPOXIAT-UHFFFAOYSA-N

Compound name

4-cyclopentyloxybenzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 51
Patents: 206.0943 Da
Monoisotopic Mass: 2.7
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	146.0
[M+Na]+	229.08352	156.5
[M+NH4]+	224.12812	154.1
[M+K]+	245.05746	152.8
[M-H]-	205.08702	148.4
[M+Na-2H]-	227.06897	151.8
[M]+	206.09375	147.9
[M]-	206.09485	147.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe