CID 20977730

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

Structural Information

Molecular Formula
C7H10N2O4
SMILES
C1CC(=O)NC1C(=O)C(C(=O)O)N
InChI
InChI=1S/C7H10N2O4/c8-5(7(12)13)6(11)3-1-2-4(10)9-3/h3,5H,1-2,8H2,(H,9,10)(H,12,13)
InChIKey
MGEFGYONNZYSPY-UHFFFAOYSA-N
Compound name
2-amino-3-oxo-3-(5-oxopyrrolidin-2-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

186.06406 Da
Monoisotopic Mass

-4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.07134 139.1
[M+Na]+ 209.05328 144.0
[M-H]- 185.05678 137.9
[M+NH4]+ 204.09788 156.6
[M+K]+ 225.02722 142.8
[M+H-H2O]+ 169.06132 133.1
[M+HCOO]- 231.06226 156.5
[M+CH3COO]- 245.07791 177.7
[M+Na-2H]- 207.03873 138.1
[M]+ 186.06351 133.0
[M]- 186.06461 133.0
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

No patent data available for this compound.