CID 11105904

(5s)-5-phenylmorpholin-3-one

Structural Information

Molecular Formula

C₁₀H₁₁NO₂

SMILES

C1[C@@H](NC(=O)CO1)C2=CC=CC=C2

InChI

InChI=1S/C10H11NO2/c12-10-7-13-6-9(11-10)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,11,12)/t9-/m1/s1

InChIKey

GXDVCRCMLDJGAS-SECBINFHSA-N

Compound name

(5S)-5-phenylmorpholin-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 82
Patents: 177.07898 Da
Monoisotopic Mass: 0.7
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	137.6
[M+Na]+	200.06820	150.7
[M+NH4]+	195.11280	146.1
[M+K]+	216.04214	144.5
[M-H]-	176.07170	142.1
[M+Na-2H]-	198.05365	144.9
[M]+	177.07843	140.6
[M]-	177.07953	140.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe