CID 8818

3-cyclopentylpropionic acid

Structural Information

Molecular Formula

C₈H₁₄O₂

SMILES

C1CCC(C1)CCC(=O)O

InChI

InChI=1S/C8H14O2/c9-8(10)6-5-7-3-1-2-4-7/h7H,1-6H2,(H,9,10)

InChIKey

ZRPLANDPDWYOMZ-UHFFFAOYSA-N

Compound name

3-cyclopentylpropanoic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 20
References: 92926
Patents: 142.09938 Da
Monoisotopic Mass: 2.3
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]+	143.10666	132.4
[M+Na]+	165.08860	140.8
[M+NH4]+	160.13320	140.4
[M+K]+	181.06254	137.6
[M-H]-	141.09210	132.5
[M+Na-2H]-	163.07405	135.5
[M]+	142.09883	133.2
[M]-	142.09993	133.2

Literature stripe

literature stripe

Patent stripe

patents stripe