CID 84801

3-hydroxy-6-methyl-2-nitropyridine

Structural Information

Molecular Formula

C₆H₆N₂O₃

SMILES

CC1=NC(=C(C=C1)O)[N+](=O)[O-]

InChI

InChI=1S/C6H6N2O3/c1-4-2-3-5(9)6(7-4)8(10)11/h2-3,9H,1H3

InChIKey

WZMGQHIBXUAYGS-UHFFFAOYSA-N

Compound name

6-methyl-2-nitropyridin-3-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 440
Patents: 154.03784 Da
Monoisotopic Mass: 1.6
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]+	155.04512	126.3
[M+Na]+	177.02706	140.0
[M+NH4]+	172.07166	134.1
[M+K]+	193.00100	137.6
[M-H]-	153.03056	128.5
[M+Na-2H]-	175.01251	132.8
[M]+	154.03729	128.7
[M]-	154.03839	128.7

Literature stripe

literature stripe

Patent stripe

patents stripe