CID 161171

Ephedroxane

Structural Information

Molecular Formula

C₁₁H₁₃NO₂

SMILES

C[C@H]1[C@H](OC(=O)N1C)C2=CC=CC=C2

InChI

InChI=1S/C11H13NO2/c1-8-10(14-11(13)12(8)2)9-6-4-3-5-7-9/h3-8,10H,1-2H3/t8-,10-/m0/s1

InChIKey

MNYARIILPGRTQL-WPRPVWTQSA-N

Compound name

(4S,5R)-3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 285
Patents: 191.09464 Da
Monoisotopic Mass: 1.9
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]+	192.101916	139.6
[M+Na]+	214.083858	148.6
[M-H]-	190.087364	146.1
[M+NH4]+	209.128463	158.7
[M+K]+	230.057798	147.3
[M+H-H2O]+	174.091900	133.2
[M+HCOO]-	236.092841	161.4
[M+CH3COO]-	250.108491	182.8
[M+Na-2H]-	212.069306	143.5
[M]+	191.09409142	140.1
[M]-	191.09518858	140.1

Literature stripe

literature stripe

Patent stripe

patents stripe