CID 258299

94083-12-2

Structural Information

Molecular Formula

C₆H₆N₂O₂

SMILES

C1=CNC(=O)C(=C1)C(=O)N

InChI

InChI=1S/C6H6N2O2/c7-5(9)4-2-1-3-8-6(4)10/h1-3H,(H2,7,9)(H,8,10)

InChIKey

PQCVYHSKABCYON-UHFFFAOYSA-N

Compound name

2-oxo-1H-pyridine-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 928
Patents: 138.04292 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]+	139.05020	124.1
[M+Na]+	161.03214	132.7
[M-H]-	137.03564	125.2
[M+NH4]+	156.07674	143.2
[M+K]+	177.00608	130.4
[M+H-H2O]+	121.04018	118.1
[M+HCOO]-	183.04112	147.1
[M+CH3COO]-	197.05677	170.8
[M+Na-2H]-	159.01759	130.7
[M]+	138.04237	121.0
[M]-	138.04347	121.0

Literature stripe

literature stripe

Patent stripe

patents stripe