CID 160670

3128-29-8

Structural Information

Molecular Formula

C₇H₈N₂O₂

SMILES

CNC(=O)C1=CNC=CC1=O

InChI

InChI=1S/C7H8N2O2/c1-8-7(11)5-4-9-3-2-6(5)10/h2-4H,1H3,(H,8,11)(H,9,10)

InChIKey

BYSMVNPWERSAPZ-UHFFFAOYSA-N

Compound name

N-methyl-4-oxo-1H-pyridine-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 30
References: 56
Patents: 152.05858 Da
Monoisotopic Mass: 0.2
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]+	153.06586	129.4
[M+Na]+	175.04780	140.9
[M+NH4]+	170.09240	136.4
[M+K]+	191.02174	136.1
[M-H]-	151.05130	130.1
[M+Na-2H]-	173.03325	135.5
[M]+	152.05803	130.9
[M]-	152.05913	130.9

Literature stripe

literature stripe

Patent stripe

patents stripe