CID 20715090

2-methoxy-5-nitro-nicotinic acid

Structural Information

Molecular Formula
C7H6N2O5
SMILES
COC1=C(C=C(C=N1)[N+](=O)[O-])C(=O)O
InChI
InChI=1S/C7H6N2O5/c1-14-6-5(7(10)11)2-4(3-8-6)9(12)13/h2-3H,1H3,(H,10,11)
InChIKey
CKKHQPBRBNOKAQ-UHFFFAOYSA-N
Compound name
2-methoxy-5-nitropyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

198.02766 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.03494 134.9
[M+Na]+ 221.01688 143.1
[M-H]- 197.02038 136.8
[M+NH4]+ 216.06148 151.4
[M+K]+ 236.99082 138.3
[M+H-H2O]+ 181.02492 133.2
[M+HCOO]- 243.02586 158.4
[M+CH3COO]- 257.04151 174.7
[M+Na-2H]- 219.00233 142.7
[M]+ 198.02711 135.2
[M]- 198.02821 135.2
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