CID 67463764

3-(bromomethyl)-3-(methoxymethyl)oxetane

Structural Information

Molecular Formula

C₆H₁₁BrO₂

SMILES

COCC1(COC1)CBr

InChI

InChI=1S/C6H11BrO2/c1-8-3-6(2-7)4-9-5-6/h2-5H2,1H3

InChIKey

IFPUCAPMHNKSFX-UHFFFAOYSA-N

Compound name

3-(bromomethyl)-3-(methoxymethyl)oxetane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
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]+	195.001526	122.3
[M+Na]+	216.983468	132.1
[M-H]-	192.986974	129.3
[M+NH4]+	212.028073	140.0
[M+K]+	232.957408	127.4
[M+H-H2O]+	176.991510	120.0
[M+HCOO]-	238.992451	142.1
[M+CH3COO]-	253.008101	182.8
[M+Na-2H]-	214.968916	133.1
[M]+	193.99370142	150.6
[M]-	193.99479858	150.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe