CID 11105904

1052209-96-7

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: 91
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]+	178.086256	136.5
[M+Na]+	200.068198	142.6
[M-H]-	176.071704	140.6
[M+NH4]+	195.112803	152.8
[M+K]+	216.042138	140.7
[M+H-H2O]+	160.076240	129.2
[M+HCOO]-	222.077181	154.8
[M+CH3COO]-	236.092831	175.4
[M+Na-2H]-	198.053646	143.4
[M]+	177.07843142	131.7
[M]-	177.07952858	131.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe