CID 74260

1657-28-9

Structural Information

Molecular Formula

C₉H₁₀N₂O₂

SMILES

CC(=O)CC(=O)NC1=CC=CC=N1

InChI

InChI=1S/C9H10N2O2/c1-7(12)6-9(13)11-8-4-2-3-5-10-8/h2-5H,6H2,1H3,(H,10,11,13)

InChIKey

JSYFBSLKZLDZOC-UHFFFAOYSA-N

Compound name

3-oxo-N-pyridin-2-ylbutanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 17
Patents: 178.07423 Da
Monoisotopic Mass: 1.0
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]+	179.08151	137.8
[M+Na]+	201.06345	148.8
[M+NH4]+	196.10805	144.8
[M+K]+	217.03739	143.8
[M-H]-	177.06695	138.7
[M+Na-2H]-	199.04890	144.0
[M]+	178.07368	139.3
[M]-	178.07478	139.3

Literature stripe

literature stripe

Patent stripe

patents stripe