CID 16791350

1-(2-aminoethyl)-1,2-dihydropyridin-2-one dihydrochloride

Structural Information

Molecular Formula

C₇H₁₀N₂O

SMILES

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

InChI

InChI=1S/C7H10N2O/c8-4-6-9-5-2-1-3-7(9)10/h1-3,5H,4,6,8H2

InChIKey

IZSOENLZRWXCER-UHFFFAOYSA-N

Compound name

1-(2-aminoethyl)pyridin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 47
Patents: 138.07932 Da
Monoisotopic Mass: -0.6
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]+	139.086596	125.8
[M+Na]+	161.068538	134.4
[M-H]-	137.072044	128.0
[M+NH4]+	156.113143	145.9
[M+K]+	177.042478	132.4
[M+H-H2O]+	121.076580	119.4
[M+HCOO]-	183.077521	150.5
[M+CH3COO]-	197.093171	174.3
[M+Na-2H]-	159.053986	133.7
[M]+	138.07877142	124.8
[M]-	138.07986858	124.8

Literature stripe

literature stripe

Patent stripe

patents stripe