CID 853161

16251-45-9

Structural Information

Molecular Formula

C₁₀H₁₁NO₂

SMILES

C[C@H]1[C@H](OC(=O)N1)C2=CC=CC=C2

InChI

InChI=1S/C10H11NO2/c1-7-9(13-10(12)11-7)8-5-3-2-4-6-8/h2-7,9H,1H3,(H,11,12)/t7-,9-/m0/s1

InChIKey

PPIBJOQGAJBQDF-CBAPKCEASA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1111
Patents: 177.07898 Da
Monoisotopic Mass: 1.7
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	137.3
[M+Na]+	200.06820	149.7
[M+NH4]+	195.11280	145.5
[M+K]+	216.04214	145.8
[M-H]-	176.07170	141.0
[M+Na-2H]-	198.05365	143.3
[M]+	177.07843	139.9
[M]-	177.07953	139.9

Literature stripe

literature stripe

Patent stripe

patents stripe