CID 45082994

611226-36-9

Structural Information

Molecular Formula

C₇H₈N₂O₂

SMILES

CNC(=O)C1=CC(=O)C=CN1

InChI

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

InChIKey

CZQYAQCFNKEWBS-UHFFFAOYSA-N

Compound name

N-methyl-4-oxo-1H-pyridine-2-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 63
Patents: 152.05858 Da
Monoisotopic Mass: -0.4
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	128.4
[M+Na]+	175.04780	136.7
[M-H]-	151.05130	129.9
[M+NH4]+	170.09240	147.3
[M+K]+	191.02174	134.4
[M+H-H2O]+	135.05584	122.2
[M+HCOO]-	197.05678	151.7
[M+CH3COO]-	211.07243	173.8
[M+Na-2H]-	173.03325	135.6
[M]+	152.05803	126.6
[M]-	152.05913	126.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe