CID 46658

64046-67-9

Structural Information

Molecular Formula

C₆H₁₁BrO₃

SMILES

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

InChI

InChI=1S/C6H11BrO3/c1-6(2,9-3)10-5(8)4-7/h4H2,1-3H3

InChIKey

LATIKUXXNBZQFO-UHFFFAOYSA-N

Compound name

2-methoxypropan-2-yl 2-bromoacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 209.98917 Da
Monoisotopic Mass: 1.5
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]+	210.99645	137.0
[M+Na]+	232.97839	137.6
[M+NH4]+	228.02299	140.5
[M+K]+	248.95233	139.8
[M-H]-	208.98189	134.0
[M+Na-2H]-	230.96384	137.4
[M]+	209.98862	134.9
[M]-	209.98972	134.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.