CID 206356

Brn 0566957

Structural Information

Molecular Formula

C₁₅H₁₅NO₅

SMILES

CC(=O)OC1=CC=C(C=C1)N2CC(OC2=O)COCC#C

InChI

InChI=1S/C15H15NO5/c1-3-8-19-10-14-9-16(15(18)21-14)12-4-6-13(7-5-12)20-11(2)17/h1,4-7,14H,8-10H2,2H3

InChIKey

YNRXSTTUNTYSDZ-UHFFFAOYSA-N

Compound name

[4-[2-oxo-5-(prop-2-ynoxymethyl)-1,3-oxazolidin-3-yl]phenyl] acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 289.09503 Da
Monoisotopic Mass: 1.2
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]+	290.102306	160.6
[M+Na]+	312.084248	170.1
[M-H]-	288.087754	163.9
[M+NH4]+	307.128853	173.2
[M+K]+	328.058188	166.9
[M+H-H2O]+	272.092290	146.7
[M+HCOO]-	334.093231	175.1
[M+CH3COO]-	348.108881	205.3
[M+Na-2H]-	310.069696	160.9
[M]+	289.09448142	158.6
[M]-	289.09557858	158.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.