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

36
Patents

198.02766 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.034936 134.9
[M+Na]+ 221.016878 143.1
[M-H]- 197.020384 136.8
[M+NH4]+ 216.061483 151.4
[M+K]+ 236.990818 138.3
[M+H-H2O]+ 181.024920 133.2
[M+HCOO]- 243.025861 158.4
[M+CH3COO]- 257.041511 174.7
[M+Na-2H]- 219.002326 142.7
[M]+ 198.02711142 135.2
[M]- 198.02820858 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