CID 139023993

2-(but-3-yn-1-yl)oxolane

Structural Information

Molecular Formula

C₈H₁₂O

SMILES

C#CCCC1CCCO1

InChI

InChI=1S/C8H12O/c1-2-3-5-8-6-4-7-9-8/h1,8H,3-7H2

InChIKey

CEIGLQIDBNQDQK-UHFFFAOYSA-N

Compound name

2-but-3-ynyloxolane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 124.08881 Da
Monoisotopic Mass: 1.6
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]+	125.09609	123.4
[M+Na]+	147.07803	132.4
[M-H]-	123.08153	125.6
[M+NH4]+	142.12263	143.6
[M+K]+	163.05197	130.3
[M+H-H2O]+	107.08607	112.3
[M+HCOO]-	169.08701	140.1
[M+CH3COO]-	183.10266	178.9
[M+Na-2H]-	145.06348	128.6
[M]+	124.08826	117.2
[M]-	124.08936	117.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.