CID 12294721

2-(cyclopent-1-en-1-yl)propanoic acid

Structural Information

Molecular Formula

C₈H₁₂O₂

SMILES

CC(C1=CCCC1)C(=O)O

InChI

InChI=1S/C8H12O2/c1-6(8(9)10)7-4-2-3-5-7/h4,6H,2-3,5H2,1H3,(H,9,10)

InChIKey

CQIAXGXUTFQFMG-UHFFFAOYSA-N

Compound name

2-(cyclopenten-1-yl)propanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 140.08372 Da
Monoisotopic Mass: 1.5
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]+	141.09100	130.7
[M+Na]+	163.07294	139.7
[M+NH4]+	158.11754	138.7
[M+K]+	179.04688	137.2
[M-H]-	139.07644	130.8
[M+Na-2H]-	161.05839	134.4
[M]+	140.08317	131.6
[M]-	140.08427	131.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe