CID 436

Oxoamide

Structural Information

Molecular Formula

C₁₀H₁₂N₂O₂

SMILES

CNC(=O)CCC(=O)C1=CN=CC=C1

InChI

InChI=1S/C10H12N2O2/c1-11-10(14)5-4-9(13)8-3-2-6-12-7-8/h2-3,6-7H,4-5H2,1H3,(H,11,14)

InChIKey

WOOSCPWOYYLIHS-UHFFFAOYSA-N

Compound name

N-methyl-4-oxo-4-pyridin-3-ylbutanamide

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 16
References: 149
Patents: 192.08987 Da
Monoisotopic Mass: -0.3
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]+	193.09715	142.3
[M+Na]+	215.07909	153.0
[M+NH4]+	210.12369	149.1
[M+K]+	231.05303	147.8
[M-H]-	191.08259	143.1
[M+Na-2H]-	213.06454	148.1
[M]+	192.08932	143.7
[M]-	192.09042	143.7

Literature stripe

literature stripe

Patent stripe

patents stripe