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]+ 158.081176 133.7
[M+Na]+ 180.063118 139.7
[M-H]- 156.066624 132.9
[M+NH4]+ 175.107723 153.3
[M+K]+ 196.037058 138.4
[M+H-H2O]+ 140.071160 128.3
[M+HCOO]- 202.072101 151.3
[M+CH3COO]- 216.087751 170.8
[M+Na-2H]- 178.048566 134.4
[M]+ 157.07335142 129.3
[M]- 157.07444858 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