CID 13625994

4-(bromomethyl)oxan-4-ol

Structural Information

Molecular Formula

C₆H₁₁BrO₂

SMILES

C1COCCC1(CBr)O

InChI

InChI=1S/C6H11BrO2/c7-5-6(8)1-3-9-4-2-6/h8H,1-5H2

InChIKey

AINJBBBJCHXEHA-UHFFFAOYSA-N

Compound name

4-(bromomethyl)oxan-4-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 193.99425 Da
Monoisotopic Mass: 0.5
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	135.1
[M+Na]+	216.98347	136.7
[M+NH4]+	212.02807	141.5
[M+K]+	232.95741	136.0
[M-H]-	192.98697	136.2
[M+Na-2H]-	214.96892	138.2
[M]+	193.99370	134.5
[M]-	193.99480	134.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe