CID 68701433

2,3-dimethyl-5-nitropyridin-4-ol

Structural Information

Molecular Formula

C₇H₈N₂O₃

SMILES

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

InChI

InChI=1S/C7H8N2O3/c1-4-5(2)8-3-6(7(4)10)9(11)12/h3H,1-2H3,(H,8,10)

InChIKey

WFKHHAYANCSHGZ-UHFFFAOYSA-N

Compound name

2,3-dimethyl-5-nitro-1H-pyridin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 168.0535 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]+	169.06078	130.5
[M+Na]+	191.04272	144.4
[M+NH4]+	186.08732	137.8
[M+K]+	207.01666	141.8
[M-H]-	167.04622	132.4
[M+Na-2H]-	189.02817	136.3
[M]+	168.05295	132.8
[M]-	168.05405	132.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe