CID 11745107

126378-84-5

Structural Information

Molecular Formula

C₁₁H₁₁NO

SMILES

C1C(NC=CC1=O)C2=CC=CC=C2

InChI

InChI=1S/C11H11NO/c13-10-6-7-12-11(8-10)9-4-2-1-3-5-9/h1-7,11-12H,8H2

InChIKey

UHNSISVZKUXMPN-UHFFFAOYSA-N

Compound name

2-phenyl-2,3-dihydro-1H-pyridin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 173.08406 Da
Monoisotopic Mass: 1.5
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]+	174.09134	137.5
[M+Na]+	196.07328	151.5
[M+NH4]+	191.11788	146.6
[M+K]+	212.04722	143.9
[M-H]-	172.07678	141.3
[M+Na-2H]-	194.05873	146.4
[M]+	173.08351	140.5
[M]-	173.08461	140.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe