CID 7204882

Methyl 2-hydroxy-5-nitronicotinate

Structural Information

Molecular Formula
C7H6N2O5
SMILES
COC(=O)C1=CC(=CNC1=O)[N+](=O)[O-]
InChI
InChI=1S/C7H6N2O5/c1-14-7(11)5-2-4(9(12)13)3-8-6(5)10/h2-3H,1H3,(H,8,10)
InChIKey
DLMMETCUQGSGOK-UHFFFAOYSA-N
Compound name
methyl 5-nitro-2-oxo-1H-pyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
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 134.4
[M+Na]+ 221.01688 142.9
[M-H]- 197.02038 136.3
[M+NH4]+ 216.06148 150.9
[M+K]+ 236.99082 137.5
[M+H-H2O]+ 181.02492 132.7
[M+HCOO]- 243.02586 158.1
[M+CH3COO]- 257.04151 173.1
[M+Na-2H]- 219.00233 142.1
[M]+ 198.02711 133.8
[M]- 198.02821 133.8
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