CID 459529

16867-45-1

Structural Information

Molecular Formula

C₁₀H₁₂N₂O₂

SMILES

CC1=CC(=NC=C1)NC(=O)CC(=O)C

InChI

InChI=1S/C10H12N2O2/c1-7-3-4-11-9(5-7)12-10(14)6-8(2)13/h3-5H,6H2,1-2H3,(H,11,12,14)

InChIKey

LYKNMRJOZGSSPV-UHFFFAOYSA-N

Compound name

N-(4-methylpyridin-2-yl)-3-oxobutanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 120
Patents: 192.08987 Da
Monoisotopic Mass: 1.1
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	141.3
[M+Na]+	215.07909	148.4
[M-H]-	191.08259	143.7
[M+NH4]+	210.12369	159.2
[M+K]+	231.05303	146.9
[M+H-H2O]+	175.08713	134.4
[M+HCOO]-	237.08807	164.2
[M+CH3COO]-	251.10372	186.3
[M+Na-2H]-	213.06454	146.2
[M]+	192.08932	141.8
[M]-	192.09042	141.8

Literature stripe

literature stripe

Patent stripe

patents stripe