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: 6
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]+	232.096816	147.4
[M+Na]+	254.078758	157.4
[M-H]-	230.082264	150.6
[M+NH4]+	249.123363	162.2
[M+K]+	270.052698	153.3
[M+H-H2O]+	214.086800	133.8
[M+HCOO]-	276.087741	163.0
[M+CH3COO]-	290.103391	195.5
[M+Na-2H]-	252.064206	150.2
[M]+	231.08899142	143.2
[M]-	231.09008858	143.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.