CID 179423

2-amino-3-(5-oxo-1,2-oxazol-2-yl)propanoic acid

Structural Information

Molecular Formula
C6H8N2O4
SMILES
C1=CN(OC1=O)CC(C(=O)O)N
InChI
InChI=1S/C6H8N2O4/c7-4(6(10)11)3-8-2-1-5(9)12-8/h1-2,4H,3,7H2,(H,10,11)
InChIKey
BDHFFHBFJUZSBF-UHFFFAOYSA-N
Compound name
2-amino-3-(5-oxo-1,2-oxazol-2-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

7
Patents

172.0484 Da
Monoisotopic Mass

-3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.055676 132.4
[M+Na]+ 195.037618 140.3
[M-H]- 171.041124 134.0
[M+NH4]+ 190.082223 150.3
[M+K]+ 211.011558 140.5
[M+H-H2O]+ 155.045660 126.1
[M+HCOO]- 217.046601 154.5
[M+CH3COO]- 231.062251 176.2
[M+Na-2H]- 193.023066 136.3
[M]+ 172.04785142 132.7
[M]- 172.04894858 132.7
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.