CID 13275402

2-bromo-1,3-dimethoxypropane

Structural Information

Molecular Formula

C₅H₁₁BrO₂

SMILES

COCC(COC)Br

InChI

InChI=1S/C5H11BrO2/c1-7-3-5(6)4-8-2/h5H,3-4H2,1-2H3

InChIKey

IATIPDVXXMRIGE-UHFFFAOYSA-N

Compound name

2-bromo-1,3-dimethoxypropane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 181.99425 Da
Monoisotopic Mass: 0.8
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]+	183.001526	131.3
[M+Na]+	204.983468	142.1
[M-H]-	180.986974	134.5
[M+NH4]+	200.028073	154.9
[M+K]+	220.957408	133.6
[M+H-H2O]+	164.991510	132.1
[M+HCOO]-	226.992451	152.4
[M+CH3COO]-	241.008101	179.8
[M+Na-2H]-	202.968916	138.7
[M]+	181.99370142	152.6
[M]-	181.99479858	152.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe