CID 122164024

3-bromo-1,1-dimethoxycyclobutane

Structural Information

Molecular Formula

C₆H₁₁BrO₂

SMILES

COC1(CC(C1)Br)OC

InChI

InChI=1S/C6H11BrO2/c1-8-6(9-2)3-5(7)4-6/h5H,3-4H2,1-2H3

InChIKey

AQTIVKVEGYIQBF-UHFFFAOYSA-N

Compound name

3-bromo-1,1-dimethoxycyclobutane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 193.99425 Da
Monoisotopic Mass: 1.2
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	123.0
[M+Na]+	216.983468	133.6
[M-H]-	192.986974	129.7
[M+NH4]+	212.028073	142.1
[M+K]+	232.957408	127.8
[M+H-H2O]+	176.991510	120.8
[M+HCOO]-	238.992451	143.4
[M+CH3COO]-	253.008101	183.9
[M+Na-2H]-	214.968916	132.1
[M]+	193.99370142	151.0
[M]-	193.99479858	151.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.