CID 145867602

2361665-49-6

Structural Information

Molecular Formula
C8H9N3O5
SMILES
C1=C(C(=O)NC=C1CC(C(=O)O)N)[N+](=O)[O-]
InChI
InChI=1S/C8H9N3O5/c9-5(8(13)14)1-4-2-6(11(15)16)7(12)10-3-4/h2-3,5H,1,9H2,(H,10,12)(H,13,14)
InChIKey
QAPOTKRKOKECHG-UHFFFAOYSA-N
Compound name
2-amino-3-(5-nitro-6-oxo-1H-pyridin-3-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

227.05421 Da
Monoisotopic Mass

-3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.06149 143.3
[M+Na]+ 250.04343 152.8
[M+NH4]+ 245.08803 147.7
[M+K]+ 266.01737 153.5
[M-H]- 226.04693 142.9
[M+Na-2H]- 248.02888 145.9
[M]+ 227.05366 143.8
[M]- 227.05476 143.8
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