CID 18840

Cyclopentanecarboxylic acid

Structural Information

Molecular Formula

C₆H₁₀O₂

SMILES

C1CCC(C1)C(=O)O

InChI

InChI=1S/C6H10O2/c7-6(8)5-3-1-2-4-5/h5H,1-4H2,(H,7,8)

InChIKey

JBDSSBMEKXHSJF-UHFFFAOYSA-N

Compound name

cyclopentanecarboxylic acid

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 3
References: 23585
Patents: 114.06808 Da
Monoisotopic Mass: 1.3
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]+	115.07536	123.3
[M+Na]+	137.05730	129.3
[M-H]-	113.06080	125.1
[M+NH4]+	132.10190	146.6
[M+K]+	153.03124	128.7
[M+H-H2O]+	97.065340	118.6
[M+HCOO]-	159.06628	144.6
[M+CH3COO]-	173.08193	164.4
[M+Na-2H]-	135.04275	127.0
[M]+	114.06753	119.4
[M]-	114.06863	119.4

Literature stripe

literature stripe

Patent stripe

patents stripe