CID 186650

3-(2-tetrahydropyranyloxy)pentyne

Structural Information

Molecular Formula

C₁₀H₁₆O₂

SMILES

CCC(C#C)OC1CCCCO1

InChI

InChI=1S/C10H16O2/c1-3-9(4-2)12-10-7-5-6-8-11-10/h1,9-10H,4-8H2,2H3

InChIKey

IGVBUMONLHKFKM-UHFFFAOYSA-N

Compound name

2-pent-1-yn-3-yloxyoxane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 168.11504 Da
Monoisotopic Mass: 2.0
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]+	169.12232	133.9
[M+Na]+	191.10426	141.0
[M-H]-	167.10776	135.8
[M+NH4]+	186.14886	150.8
[M+K]+	207.07820	139.4
[M+H-H2O]+	151.11230	122.3
[M+HCOO]-	213.11324	147.4
[M+CH3COO]-	227.12889	187.0
[M+Na-2H]-	189.08971	138.2
[M]+	168.11449	127.2
[M]-	168.11559	127.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.