CID 129986787

1228258-41-0

Structural Information

Molecular Formula

C₆H₁₃BrO₃

SMILES

COC(COCCBr)OC

InChI

InChI=1S/C6H13BrO3/c1-8-6(9-2)5-10-4-3-7/h6H,3-5H2,1-2H3

InChIKey

XUZJVFLJJMGQJJ-UHFFFAOYSA-N

Compound name

2-(2-bromoethoxy)-1,1-dimethoxyethane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 212.0048 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]+	213.01208	138.8
[M+Na]+	234.99402	139.5
[M+NH4]+	230.03862	142.6
[M+K]+	250.96796	140.7
[M-H]-	210.99752	136.5
[M+Na-2H]-	232.97947	139.2
[M]+	212.00425	136.8
[M]-	212.00535	136.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.