CID 5153080

4-phenylmorpholin-3-one

Structural Information

Molecular Formula

C₁₀H₁₁NO₂

SMILES

C1COCC(=O)N1C2=CC=CC=C2

InChI

InChI=1S/C10H11NO2/c12-10-8-13-7-6-11(10)9-4-2-1-3-5-9/h1-5H,6-8H2

InChIKey

SIWXCJHUZAEIAE-UHFFFAOYSA-N

Compound name

4-phenylmorpholin-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 212
Patents: 177.07898 Da
Monoisotopic Mass: 0.9
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]+	178.08626	137.0
[M+Na]+	200.06820	150.7
[M+NH4]+	195.11280	145.8
[M+K]+	216.04214	144.1
[M-H]-	176.07170	142.0
[M+Na-2H]-	198.05365	144.9
[M]+	177.07843	140.3
[M]-	177.07953	140.3

Literature stripe

literature stripe

Patent stripe

patents stripe