CID 73582

23598-54-1

Structural Information

Molecular Formula

C₁₃H₁₃NO₃

SMILES

C#CCOCC1CN(C(=O)O1)C2=CC=CC=C2

InChI

InChI=1S/C13H13NO3/c1-2-8-16-10-12-9-14(13(15)17-12)11-6-4-3-5-7-11/h1,3-7,12H,8-10H2

InChIKey

RXVDTRQMYILFDO-UHFFFAOYSA-N

Compound name

3-phenyl-5-(prop-2-ynoxymethyl)-1,3-oxazolidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 0
Patents: 231.08954 Da
Monoisotopic Mass: 1.5
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]+	232.09682	151.6
[M+Na]+	254.07876	163.3
[M+NH4]+	249.12336	155.3
[M+K]+	270.05270	155.8
[M-H]-	230.08226	146.6
[M+Na-2H]-	252.06421	153.9
[M]+	231.08899	150.9
[M]-	231.09009	150.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.