CID 53961578

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

Structural Information

Molecular Formula
C7H11NO3
SMILES
CC(C1CCC(=O)N1)C(=O)O
InChI
InChI=1S/C7H11NO3/c1-4(7(10)11)5-2-3-6(9)8-5/h4-5H,2-3H2,1H3,(H,8,9)(H,10,11)
InChIKey
JLIAUXQHFQGOGT-UHFFFAOYSA-N
Compound name
2-(5-oxopyrrolidin-2-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

157.0739 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.08118 133.7
[M+Na]+ 180.06312 139.7
[M-H]- 156.06662 132.9
[M+NH4]+ 175.10772 153.3
[M+K]+ 196.03706 138.4
[M+H-H2O]+ 140.07116 128.3
[M+HCOO]- 202.07210 151.3
[M+CH3COO]- 216.08775 170.8
[M+Na-2H]- 178.04857 134.4
[M]+ 157.07335 129.3
[M]- 157.07445 129.3
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