CID 660920

Brn 4419166

Structural Information

Molecular Formula

C₉H₁₁N₃O

SMILES

CC1=CC(=C(C(=O)N1)C#N)N(C)C

InChI

InChI=1S/C9H11N3O/c1-6-4-8(12(2)3)7(5-10)9(13)11-6/h4H,1-3H3,(H,11,13)

InChIKey

BMQKSNHUDFPJNN-UHFFFAOYSA-N

Compound name

4-(dimethylamino)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 6
References: 13
Patents: 177.09021 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]+	178.09749	138.6
[M+Na]+	200.07943	150.4
[M+NH4]+	195.12403	142.6
[M+K]+	216.05337	142.1
[M-H]-	176.08293	133.0
[M+Na-2H]-	198.06488	142.1
[M]+	177.08966	137.7
[M]-	177.09076	137.7

Literature stripe

literature stripe

Patent stripe

patents stripe