CID 165943025

2156552-69-9

Structural Information

Molecular Formula

C₇H₁₁BrO₂

SMILES

COC1CC(C1)C(=O)CBr

InChI

InChI=1S/C7H11BrO2/c1-10-6-2-5(3-6)7(9)4-8/h5-6H,2-4H2,1H3

InChIKey

WLJUAMUUZJSRDO-UHFFFAOYSA-N

Compound name

2-bromo-1-(3-methoxycyclobutyl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 205.99425 Da
Monoisotopic Mass: 1.1
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]+	207.00153	136.0
[M+Na]+	228.98347	133.8
[M+NH4]+	224.02807	137.1
[M+K]+	244.95741	136.3
[M-H]-	204.98697	133.0
[M+Na-2H]-	226.96892	135.3
[M]+	205.99370	132.5
[M]-	205.99480	132.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.