CID 301167

3-(3-oxocyclopentyl)propanoic acid

Structural Information

Molecular Formula
C8H12O3
SMILES
C1CC(=O)CC1CCC(=O)O
InChI
InChI=1S/C8H12O3/c9-7-3-1-6(5-7)2-4-8(10)11/h6H,1-5H2,(H,10,11)
InChIKey
HEUDYJVJGYXYLX-UHFFFAOYSA-N
Compound name
3-(3-oxocyclopentyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

156.07864 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.08592 134.1
[M+Na]+ 179.06786 142.5
[M+NH4]+ 174.11246 141.3
[M+K]+ 195.04180 140.0
[M-H]- 155.07136 133.5
[M+Na-2H]- 177.05331 136.5
[M]+ 156.07809 134.6
[M]- 156.07919 134.6
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