CID 211834

23598-59-6

Structural Information

Molecular Formula

C₁₃H₁₃NO₄

SMILES

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

InChI

InChI=1S/C13H13NO4/c1-2-7-17-9-12-8-14(13(16)18-12)10-3-5-11(15)6-4-10/h1,3-6,12,15H,7-9H2

InChIKey

IQQBACKUBFUZMK-UHFFFAOYSA-N

Compound name

3-(4-hydroxyphenyl)-5-(prop-2-ynoxymethyl)-1,3-oxazolidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 247.08446 Da
Monoisotopic Mass: 1.1
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]+	248.091736	150.8
[M+Na]+	270.073678	160.9
[M-H]-	246.077184	153.2
[M+NH4]+	265.118283	164.6
[M+K]+	286.047618	156.9
[M+H-H2O]+	230.081720	137.5
[M+HCOO]-	292.082661	165.2
[M+CH3COO]-	306.098311	196.3
[M+Na-2H]-	268.059126	152.7
[M]+	247.08391142	146.6
[M]-	247.08500858	146.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.