CID 119030471

2-bromo-1-(oxolan-3-yl)ethan-1-ol

Structural Information

Molecular Formula

C₆H₁₁BrO₂

SMILES

C1COCC1C(CBr)O

InChI

InChI=1S/C6H11BrO2/c7-3-6(8)5-1-2-9-4-5/h5-6,8H,1-4H2

InChIKey

IXUBWZIYFWKBBU-UHFFFAOYSA-N

Compound name

2-bromo-1-(oxolan-3-yl)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 193.99425 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]+	195.00153	138.7
[M+Na]+	216.98347	138.8
[M+NH4]+	212.02807	143.3
[M+K]+	232.95741	141.8
[M-H]-	192.98697	138.8
[M+Na-2H]-	214.96892	138.8
[M]+	193.99370	137.3
[M]-	193.99480	137.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.