CID 3528514

5-oxopyrrolidine-3-carboxamide

Structural Information

Molecular Formula
C5H8N2O2
SMILES
C1C(CNC1=O)C(=O)N
InChI
InChI=1S/C5H8N2O2/c6-5(9)3-1-4(8)7-2-3/h3H,1-2H2,(H2,6,9)(H,7,8)
InChIKey
BJSCOTHGFJMOOE-UHFFFAOYSA-N
Compound name
5-oxopyrrolidine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

228
Patents

128.05858 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.065856 125.0
[M+Na]+ 151.047798 131.7
[M-H]- 127.051304 125.3
[M+NH4]+ 146.092403 146.0
[M+K]+ 167.021738 130.3
[M+H-H2O]+ 111.055840 119.2
[M+HCOO]- 173.056781 146.0
[M+CH3COO]- 187.072431 168.5
[M+Na-2H]- 149.033246 127.8
[M]+ 128.05803142 119.2
[M]- 128.05912858 119.2
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