CID 123532

1-bromo-2-(2-methoxyethoxy)ethane

Structural Information

Molecular Formula

C₅H₁₁BrO₂

SMILES

COCCOCCBr

InChI

InChI=1S/C5H11BrO2/c1-7-4-5-8-3-2-6/h2-5H2,1H3

InChIKey

HUXJXNSHCKHFIL-UHFFFAOYSA-N

Compound name

1-(2-bromoethoxy)-2-methoxyethane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2958
Patents: 181.99425 Da
Monoisotopic Mass: 0.5
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]+	183.00153	130.4
[M+Na]+	204.98347	141.5
[M-H]-	180.98697	133.5
[M+NH4]+	200.02807	154.0
[M+K]+	220.95741	132.6
[M+H-H2O]+	164.99151	131.2
[M+HCOO]-	226.99245	152.5
[M+CH3COO]-	241.00810	179.1
[M+Na-2H]-	202.96892	139.1
[M]+	181.99370	152.4
[M]-	181.99480	152.4

Literature stripe

literature stripe

Patent stripe

patents stripe