CID 268310

2-acetoacetamido-6-methylpyridine

Structural Information

Molecular Formula

C₁₀H₁₂N₂O₂

SMILES

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

InChI

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

InChIKey

RCUFPCZPNROCFP-UHFFFAOYSA-N

Compound name

N-(6-methylpyridin-2-yl)-3-oxobutanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 192.08987 Da
Monoisotopic Mass: 1.2
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]+	193.09715	142.0
[M+Na]+	215.07909	153.1
[M+NH4]+	210.12369	148.8
[M+K]+	231.05303	148.2
[M-H]-	191.08259	142.9
[M+Na-2H]-	213.06454	147.7
[M]+	192.08932	143.6
[M]-	192.09042	143.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe