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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.09100 130.8
[M+Na]+ 163.07294 136.8
[M-H]- 139.07644 132.8
[M+NH4]+ 158.11754 153.2
[M+K]+ 179.04688 136.0
[M+H-H2O]+ 123.08098 125.9
[M+HCOO]- 185.08192 152.1
[M+CH3COO]- 199.09757 170.9
[M+Na-2H]- 161.05839 133.2
[M]+ 140.08317 128.6
[M]- 140.08427 128.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe