CID 86712390

2-(cyclooct-2-yn-1-yloxy)ethan-1-ol

Structural Information

Molecular Formula

C₁₀H₁₆O₂

SMILES

C1CCC#CC(CC1)OCCO

InChI

InChI=1S/C10H16O2/c11-8-9-12-10-6-4-2-1-3-5-7-10/h10-11H,1-4,6,8-9H2

InChIKey

AQYGQWZKMMQNFW-UHFFFAOYSA-N

Compound name

2-cyclooct-2-yn-1-yloxyethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 28
Patents: 168.11504 Da
Monoisotopic Mass: 1.5
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	138.5
[M+Na]+	191.10426	141.6
[M+NH4]+	186.14886	141.4
[M+K]+	207.07820	141.3
[M-H]-	167.10776	139.1
[M+Na-2H]-	189.08971	141.7
[M]+	168.11449	139.0
[M]-	168.11559	139.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe