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	123.1
[M+Na]+	198.97289	136.4
[M-H]-	174.97639	124.5
[M+NH4]+	194.01749	144.5
[M+K]+	214.94683	126.1
[M+H-H2O]+	158.98093	118.2
[M+HCOO]-	220.98187	141.8
[M+CH3COO]-	234.99752	187.0
[M+Na-2H]-	196.95834	131.1
[M]+	175.98312	136.7
[M]-	175.98422	136.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.