CID 12783702

1-bromo-3-methoxy-3-methylbutan-2-one

Structural Information

Molecular Formula

C₆H₁₁BrO₂

SMILES

CC(C)(C(=O)CBr)OC

InChI

InChI=1S/C6H11BrO2/c1-6(2,9-3)5(8)4-7/h4H2,1-3H3

InChIKey

RLEAJEINZQWXQO-UHFFFAOYSA-N

Compound name

1-bromo-3-methoxy-3-methylbutan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
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]+	195.00153	134.0
[M+Na]+	216.98347	135.0
[M+NH4]+	212.02807	138.0
[M+K]+	232.95741	136.8
[M-H]-	192.98697	131.4
[M+Na-2H]-	214.96892	134.8
[M]+	193.99370	132.1
[M]-	193.99480	132.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe