CID 5153080

4-phenylmorpholin-3-on

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: 359
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]+	178.086256	135.8
[M+Na]+	200.068198	142.3
[M-H]-	176.071704	141.3
[M+NH4]+	195.112803	152.8
[M+K]+	216.042138	141.4
[M+H-H2O]+	160.076240	128.2
[M+HCOO]-	222.077181	155.6
[M+CH3COO]-	236.092831	178.0
[M+Na-2H]-	198.053646	143.2
[M]+	177.07843142	132.8
[M]-	177.07952858	132.8

Literature stripe

literature stripe

Patent stripe

patents stripe