CID 39392

43148-98-7

Structural Information

Molecular Formula

C₁₅H₁₅NO₅

SMILES

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

InChI

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

InChIKey

SBQMWXMHHZYIMI-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 289.09503 Da
Monoisotopic Mass: 1.0
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	161.9
[M+Na]+	312.084248	171.0
[M-H]-	288.087754	164.0
[M+NH4]+	307.128853	173.8
[M+K]+	328.058188	167.1
[M+H-H2O]+	272.092290	148.3
[M+HCOO]-	334.093231	175.1
[M+CH3COO]-	348.108881	203.7
[M+Na-2H]-	310.069696	161.7
[M]+	289.09448142	158.3
[M]-	289.09557858	158.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.