CID 74260

3-oxo-n-2-pyridylbutyramide

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	137.1
[M+Na]+	201.06345	143.7
[M-H]-	177.06695	139.3
[M+NH4]+	196.10805	155.2
[M+K]+	217.03739	142.4
[M+H-H2O]+	161.07149	130.1
[M+HCOO]-	223.07243	160.3
[M+CH3COO]-	237.08808	182.1
[M+Na-2H]-	199.04890	143.3
[M]+	178.07368	136.9
[M]-	178.07478	136.9

Literature stripe

literature stripe

Patent stripe

patents stripe