CID 264620

98276-88-1

Structural Information

Molecular Formula

C₇H₈N₂O₃

SMILES

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

InChI

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

InChIKey

AAODRZMUIIDRJX-UHFFFAOYSA-N

Compound name

5,6-dimethyl-3-nitro-1H-pyridin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 60
Patents: 168.0535 Da
Monoisotopic Mass: 0.5
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

literature stripe

Patent stripe

patents stripe