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]+ 187.071336 139.1
[M+Na]+ 209.053278 144.0
[M-H]- 185.056784 137.9
[M+NH4]+ 204.097883 156.6
[M+K]+ 225.027218 142.8
[M+H-H2O]+ 169.061320 133.1
[M+HCOO]- 231.062261 156.5
[M+CH3COO]- 245.077911 177.7
[M+Na-2H]- 207.038726 138.1
[M]+ 186.06351142 133.0
[M]- 186.06460858 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.