CID 15031581

2-(pent-4-yn-1-yl)furan

Structural Information

Molecular Formula

C₉H₁₀O

SMILES

C#CCCCC1=CC=CO1

InChI

InChI=1S/C9H10O/c1-2-3-4-6-9-7-5-8-10-9/h1,5,7-8H,3-4,6H2

InChIKey

FOGSBIIOPRNRBN-UHFFFAOYSA-N

Compound name

2-pent-4-ynylfuran

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
Patents: 134.07317 Da
Monoisotopic Mass: 2.6
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]+	135.080446	126.0
[M+Na]+	157.062388	136.4
[M-H]-	133.065894	128.5
[M+NH4]+	152.106993	145.9
[M+K]+	173.036328	133.8
[M+H-H2O]+	117.070430	114.6
[M+HCOO]-	179.071371	144.9
[M+CH3COO]-	193.087021	181.0
[M+Na-2H]-	155.047836	132.2
[M]+	134.07262142	122.6
[M]-	134.07371858	122.6

Literature stripe

literature stripe

Patent stripe

patents stripe