CID 572935

1-(3-aminopropyl)-1,2-dihydropyridin-2-one

Structural Information

Molecular Formula

C₈H₁₂N₂O

SMILES

C1=CC(=O)N(C=C1)CCCN

InChI

InChI=1S/C8H12N2O/c9-5-3-7-10-6-2-1-4-8(10)11/h1-2,4,6H,3,5,7,9H2

InChIKey

FMSYLYHUWPAOIM-UHFFFAOYSA-N

Compound name

1-(3-aminopropyl)pyridin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 21
Patents: 152.09496 Da
Monoisotopic Mass: -0.2
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]+	153.10224	130.4
[M+Na]+	175.08418	138.6
[M-H]-	151.08768	132.4
[M+NH4]+	170.12878	149.9
[M+K]+	191.05812	136.3
[M+H-H2O]+	135.09222	123.8
[M+HCOO]-	197.09316	154.8
[M+CH3COO]-	211.10881	177.4
[M+Na-2H]-	173.06963	137.7
[M]+	152.09441	129.8
[M]-	152.09551	129.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe