CID 23456154

3-methoxy-5-nitropyridin-2-ol

Structural Information

Molecular Formula

C₆H₆N₂O₄

SMILES

COC1=CC(=CNC1=O)[N+](=O)[O-]

InChI

InChI=1S/C6H6N2O4/c1-12-5-2-4(8(10)11)3-7-6(5)9/h2-3H,1H3,(H,7,9)

InChIKey

JDHPYWKDVDFUDW-UHFFFAOYSA-N

Compound name

3-methoxy-5-nitro-1H-pyridin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 170.03276 Da
Monoisotopic Mass: -0.1
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]+	171.04004	129.1
[M+Na]+	193.02198	142.3
[M+NH4]+	188.06658	135.9
[M+K]+	208.99592	140.3
[M-H]-	169.02548	130.5
[M+Na-2H]-	191.00743	134.8
[M]+	170.03221	131.0
[M]-	170.03331	131.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe