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

6
Patents

140.08372 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.090996 130.8
[M+Na]+ 163.072938 136.8
[M-H]- 139.076444 132.8
[M+NH4]+ 158.117543 153.2
[M+K]+ 179.046878 136.0
[M+H-H2O]+ 123.080980 125.9
[M+HCOO]- 185.081921 152.1
[M+CH3COO]- 199.097571 170.9
[M+Na-2H]- 161.058386 133.2
[M]+ 140.08317142 128.6
[M]- 140.08426858 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