CID 138987912

4-(bromomethyl)-2-oxabicyclo[2.1.1]hexane

Structural Information

Molecular Formula

SMILES

C1C2CC1(CO2)CBr

InChI

InChI=1S/C6H9BrO/c7-3-6-1-5(2-6)8-4-6/h5H,1-4H2

InChIKey

WTANHVUQECOVPV-UHFFFAOYSA-N

Compound name

4-(bromomethyl)-2-oxabicyclo[2.1.1]hexane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 175.98367 Da
Monoisotopic Mass: 1.3
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]+	176.99095	129.0
[M+Na]+	198.97289	139.8
[M-H]-	174.97639	134.1
[M+NH4]+	194.01749	154.1
[M+K]+	214.94683	134.6
[M+H-H2O]+	158.98093	129.5
[M+HCOO]-	220.98187	146.2
[M+CH3COO]-	234.99752	145.0
[M+Na-2H]-	196.95834	140.4
[M]+	175.98312	159.0
[M]-	175.98422	159.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.