CID 287240

2-methyl-5-nitropyridine-3-carboxylic acid

Structural Information

Molecular Formula
C7H6N2O4
SMILES
CC1=C(C=C(C=N1)[N+](=O)[O-])C(=O)O
InChI
InChI=1S/C7H6N2O4/c1-4-6(7(10)11)2-5(3-8-4)9(12)13/h2-3H,1H3,(H,10,11)
InChIKey
QGKUVJPQLXSHQZ-UHFFFAOYSA-N
Compound name
2-methyl-5-nitropyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

182.03276 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.04004 132.1
[M+Na]+ 205.02198 140.5
[M-H]- 181.02548 134.0
[M+NH4]+ 200.06658 149.4
[M+K]+ 220.99592 135.2
[M+H-H2O]+ 165.03002 130.7
[M+HCOO]- 227.03096 155.4
[M+CH3COO]- 241.04661 172.5
[M+Na-2H]- 203.00743 139.7
[M]+ 182.03221 131.0
[M]- 182.03331 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