CID 46311155

Methyl 4-hydroxy-5-nitronicotinate

Structural Information

Molecular Formula
C7H6N2O5
SMILES
COC(=O)C1=CNC=C(C1=O)[N+](=O)[O-]
InChI
InChI=1S/C7H6N2O5/c1-14-7(11)4-2-8-3-5(6(4)10)9(12)13/h2-3H,1H3,(H,8,10)
InChIKey
KRJYDSXOTMFXQV-UHFFFAOYSA-N
Compound name
methyl 5-nitro-4-oxo-1H-pyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.02766 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.03494 135.7
[M+Na]+ 221.01688 147.9
[M+NH4]+ 216.06148 141.4
[M+K]+ 236.99082 147.0
[M-H]- 197.02038 136.0
[M+Na-2H]- 219.00233 140.2
[M]+ 198.02711 137.0
[M]- 198.02821 137.0
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

No patent data available for this compound.