CID 4585667

3-(5-oxopyrrolidin-2-yl)propanoic acid

Structural Information

Molecular Formula
C7H11NO3
SMILES
C1CC(=O)NC1CCC(=O)O
InChI
InChI=1S/C7H11NO3/c9-6-3-1-5(8-6)2-4-7(10)11/h5H,1-4H2,(H,8,9)(H,10,11)
InChIKey
CSBJIXVKDCZBPF-UHFFFAOYSA-N
Compound name
3-(5-oxopyrrolidin-2-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

65
Patents

157.0739 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.08118 133.5
[M+Na]+ 180.06312 139.7
[M-H]- 156.06662 132.6
[M+NH4]+ 175.10772 153.2
[M+K]+ 196.03706 137.9
[M+H-H2O]+ 140.07116 127.9
[M+HCOO]- 202.07210 152.1
[M+CH3COO]- 216.08775 169.8
[M+Na-2H]- 178.04857 135.4
[M]+ 157.07335 129.8
[M]- 157.07445 129.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe