CID 137955361

3-bromo-2-ethoxypropan-1-ol

Structural Information

Molecular Formula

C₅H₁₁BrO₂

SMILES

CCOC(CO)CBr

InChI

InChI=1S/C5H11BrO2/c1-2-8-5(3-6)4-7/h5,7H,2-4H2,1H3

InChIKey

UKWBHJGWMZYZDL-UHFFFAOYSA-N

Compound name

3-bromo-2-ethoxypropan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 181.99425 Da
Monoisotopic Mass: 0.6
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	132.1
[M+Na]+	204.98347	133.0
[M+NH4]+	200.02807	136.3
[M+K]+	220.95741	134.2
[M-H]-	180.98697	129.9
[M+Na-2H]-	202.96892	132.7
[M]+	181.99370	130.2
[M]-	181.99480	130.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.