CID 86189297

Propargyl-peg3-bromide

Structural Information

Molecular Formula

C₉H₁₅BrO₃

SMILES

C#CCOCCOCCOCCBr

InChI

InChI=1S/C9H15BrO3/c1-2-4-11-6-8-13-9-7-12-5-3-10/h1H,3-9H2

InChIKey

UIGSOGCOFXYRNE-UHFFFAOYSA-N

Compound name

3-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]prop-1-yne

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 250.02046 Da
Monoisotopic Mass: 0.7
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]+	251.02774	148.3
[M+Na]+	273.00968	149.9
[M+NH4]+	268.05428	149.1
[M+K]+	288.98362	146.8
[M-H]-	249.01318	139.6
[M+Na-2H]-	270.99513	146.5
[M]+	250.01991	144.2
[M]-	250.02101	144.2

Literature stripe

literature stripe

Patent stripe

patents stripe