CID 16783269

1803584-63-5

Structural Information

Molecular Formula

C₁₃H₁₄N₂O

SMILES

C1=CC=C(C=C1)C(CN2C=CC=CC2=O)N

InChI

InChI=1S/C13H14N2O/c14-12(11-6-2-1-3-7-11)10-15-9-5-4-8-13(15)16/h1-9,12H,10,14H2

InChIKey

XFEGNZMHRVQREQ-UHFFFAOYSA-N

Compound name

1-(2-amino-2-phenylethyl)pyridin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 214.11061 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]+	215.11789	147.0
[M+Na]+	237.09983	154.1
[M-H]-	213.10333	151.9
[M+NH4]+	232.14443	163.4
[M+K]+	253.07377	150.2
[M+H-H2O]+	197.10787	138.8
[M+HCOO]-	259.10881	170.2
[M+CH3COO]-	273.12446	189.1
[M+Na-2H]-	235.08528	153.1
[M]+	214.11006	145.0
[M]-	214.11116	145.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe