CID 11275846

Ethyl 2-(2-bromoethoxy)acetate

Structural Information

Molecular Formula

C₆H₁₁BrO₃

SMILES

CCOC(=O)COCCBr

InChI

InChI=1S/C6H11BrO3/c1-2-10-6(8)5-9-4-3-7/h2-5H2,1H3

InChIKey

WNMJBBFBTADHCL-UHFFFAOYSA-N

Compound name

ethyl 2-(2-bromoethoxy)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 209.98917 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]+	210.996446	136.7
[M+Na]+	232.978388	147.4
[M-H]-	208.981894	139.7
[M+NH4]+	228.022993	159.1
[M+K]+	248.952328	138.4
[M+H-H2O]+	192.986430	137.1
[M+HCOO]-	254.987371	157.9
[M+CH3COO]-	269.003021	182.9
[M+Na-2H]-	230.963836	143.6
[M]+	209.98862142	159.0
[M]-	209.98971858	159.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe