CID 12404058

5832-43-9

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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[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

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe