CID 129922250

4-(2-bromoethoxy)but-1-yne

Structural Information

Molecular Formula

SMILES

C#CCCOCCBr

InChI

InChI=1S/C6H9BrO/c1-2-3-5-8-6-4-7/h1H,3-6H2

InChIKey

JJZCABHACCILJR-UHFFFAOYSA-N

Compound name

4-(2-bromoethoxy)but-1-yne

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 175.98367 Da
Monoisotopic Mass: 1.4
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]+	176.99095	130.5
[M+Na]+	198.97289	133.4
[M+NH4]+	194.01749	132.6
[M+K]+	214.94683	130.1
[M-H]-	174.97639	122.8
[M+Na-2H]-	196.95834	130.3
[M]+	175.98312	126.9
[M]-	175.98422	126.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.