CID 69698

701-44-0

Structural Information

Molecular Formula

C₇H₈N₂O₂

SMILES

CN1C=C(C=CC1=O)C(=O)N

InChI

InChI=1S/C7H8N2O2/c1-9-4-5(7(8)11)2-3-6(9)10/h2-4H,1H3,(H2,8,11)

InChIKey

JLQSXXWTCJPCBC-UHFFFAOYSA-N

Compound name

1-methyl-6-oxopyridine-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 54
References: 409
Patents: 152.05858 Da
Monoisotopic Mass: -1.0
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	128.7
[M+Na]+	175.04780	140.8
[M+NH4]+	170.09240	135.9
[M+K]+	191.02174	136.2
[M-H]-	151.05130	129.7
[M+Na-2H]-	173.03325	134.8
[M]+	152.05803	130.4
[M]-	152.05913	130.4

Literature stripe

literature stripe

Patent stripe

patents stripe