CID 22757234

89869-36-3

Structural Information

Molecular Formula

C₅H₈BrNO₂

SMILES

C1COC(=O)N1CCBr

InChI

InChI=1S/C5H8BrNO2/c6-1-2-7-3-4-9-5(7)8/h1-4H2

InChIKey

WDEXBUYVNOGGEE-UHFFFAOYSA-N

Compound name

3-(2-bromoethyl)-1,3-oxazolidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 38
Patents: 192.97385 Da
Monoisotopic Mass: 0.7
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]+	193.98113	132.9
[M+Na]+	215.96307	144.4
[M-H]-	191.96657	138.3
[M+NH4]+	211.00767	155.2
[M+K]+	231.93701	136.2
[M+H-H2O]+	175.97111	133.2
[M+HCOO]-	237.97205	152.7
[M+CH3COO]-	251.98770	177.9
[M+Na-2H]-	213.94852	140.0
[M]+	192.97330	151.4
[M]-	192.97440	151.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe