CID 435

4-oxo-4-(3-pyridyl)-butanamide

Structural Information

Molecular Formula

C₉H₁₀N₂O₂

SMILES

C1=CC(=CN=C1)C(=O)CCC(=O)N

InChI

InChI=1S/C9H10N2O2/c10-9(13)4-3-8(12)7-2-1-5-11-6-7/h1-2,5-6H,3-4H2,(H2,10,13)

InChIKey

DJEKVKGYYASXCW-UHFFFAOYSA-N

Compound name

4-oxo-4-pyridin-3-ylbutanamide

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 1
References: 28
Patents: 178.07423 Da
Monoisotopic Mass: -0.8
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	148.4
[M+NH4]+	196.10805	144.5
[M+K]+	217.03739	143.7
[M-H]-	177.06695	138.4
[M+Na-2H]-	199.04890	143.4
[M]+	178.07368	139.1
[M]-	178.07478	139.1

Literature stripe

literature stripe

Patent stripe

patents stripe