CID 118932

3-bromo-1,1-dimethoxypropane

Structural Information

Molecular Formula

C₅H₁₁BrO₂

SMILES

COC(CCBr)OC

InChI

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

InChIKey

ODZZAIFAQLODKN-UHFFFAOYSA-N

Compound name

3-bromo-1,1-dimethoxypropane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 640
Patents: 181.99425 Da
Monoisotopic Mass: 1.2
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	131.1
[M+Na]+	204.98347	132.5
[M+NH4]+	200.02807	135.6
[M+K]+	220.95741	133.5
[M-H]-	180.98697	129.4
[M+Na-2H]-	202.96892	132.3
[M]+	181.99370	129.5
[M]-	181.99480	129.5

Literature stripe

literature stripe

Patent stripe

patents stripe