CID 21320067

2-(3-nitro-4-oxo-1,4-dihydropyridin-1-yl)acetic acid

Structural Information

Molecular Formula
C7H6N2O5
SMILES
C1=CN(C=C(C1=O)[N+](=O)[O-])CC(=O)O
InChI
InChI=1S/C7H6N2O5/c10-6-1-2-8(4-7(11)12)3-5(6)9(13)14/h1-3H,4H2,(H,11,12)
InChIKey
ADWAAXYMXLDLFQ-UHFFFAOYSA-N
Compound name
2-(3-nitro-4-oxopyridin-1-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

198.02766 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.03494 135.5
[M+Na]+ 221.01688 147.7
[M+NH4]+ 216.06148 141.2
[M+K]+ 236.99082 146.8
[M-H]- 197.02038 135.9
[M+Na-2H]- 219.00233 140.1
[M]+ 198.02711 136.9
[M]- 198.02821 136.9
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