CID 287240

59290-81-2

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: 40
Patents: 182.03276 Da
Monoisotopic Mass: 0.6
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