CID 119091984

4-methyl-6-nitropyridine-3-carboxylic acid

Structural Information

Molecular Formula
C7H6N2O4
SMILES
CC1=CC(=NC=C1C(=O)O)[N+](=O)[O-]
InChI
InChI=1S/C7H6N2O4/c1-4-2-6(9(12)13)8-3-5(4)7(10)11/h2-3H,1H3,(H,10,11)
InChIKey
DKRCHTFVVVZVOQ-UHFFFAOYSA-N
Compound name
4-methyl-6-nitropyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.03276 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.04004 133.0
[M+Na]+ 205.02198 145.7
[M+NH4]+ 200.06658 139.6
[M+K]+ 220.99592 144.4
[M-H]- 181.02548 134.2
[M+Na-2H]- 203.00743 138.2
[M]+ 182.03221 134.8
[M]- 182.03331 134.8
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.

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patents stripe