CID 52951005

3-bromo-5-(methoxymethyl)isoxazole

Structural Information

Molecular Formula

C₅H₆BrNO₂

SMILES

COCC1=CC(=NO1)Br

InChI

InChI=1S/C5H6BrNO2/c1-8-3-4-2-5(6)7-9-4/h2H,3H2,1H3

InChIKey

PXHOIDXCRSJZCB-UHFFFAOYSA-N

Compound name

3-bromo-5-(methoxymethyl)-1,2-oxazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 190.95819 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]+	191.96547	134.4
[M+Na]+	213.94741	137.2
[M+NH4]+	208.99201	139.0
[M+K]+	229.92135	139.5
[M-H]-	189.95091	134.8
[M+Na-2H]-	211.93286	136.6
[M]+	190.95764	133.6
[M]-	190.95874	133.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.