CID 12404058

4-methyl-5-nitro-2-pyridinecarboxylic acid

Structural Information

Molecular Formula
C7H6N2O4
SMILES
CC1=CC(=NC=C1[N+](=O)[O-])C(=O)O
InChI
InChI=1S/C7H6N2O4/c1-4-2-5(7(10)11)8-3-6(4)9(12)13/h2-3H,1H3,(H,10,11)
InChIKey
WRCSKWMCSRGUTG-UHFFFAOYSA-N
Compound name
4-methyl-5-nitropyridine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

182.03276 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.040036 132.1
[M+Na]+ 205.021978 140.5
[M-H]- 181.025484 134.0
[M+NH4]+ 200.066583 149.4
[M+K]+ 220.995918 135.2
[M+H-H2O]+ 165.030020 130.7
[M+HCOO]- 227.030961 155.4
[M+CH3COO]- 241.046611 172.5
[M+Na-2H]- 203.007426 139.7
[M]+ 182.03221142 131.0
[M]- 182.03330858 131.0
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

patents stripe