CID 60919194

1-(2-bromoethoxy)-3-methoxypropane

Structural Information

Molecular Formula

C₆H₁₃BrO₂

SMILES

COCCCOCCBr

InChI

InChI=1S/C6H13BrO2/c1-8-4-2-5-9-6-3-7/h2-6H2,1H3

InChIKey

QQNJUDPQWKAYAN-UHFFFAOYSA-N

Compound name

1-(2-bromoethoxy)-3-methoxypropane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 196.00989 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]+	197.01717	136.7
[M+Na]+	218.99911	138.2
[M+NH4]+	214.04371	141.2
[M+K]+	234.97305	138.1
[M-H]-	195.00261	135.1
[M+Na-2H]-	216.98456	137.9
[M]+	196.00934	135.1
[M]-	196.01044	135.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.