CID 11506589

208827-90-1

Structural Information

Molecular Formula

C₉H₁₆O₄

SMILES

C#CCOCCOCCOCCO

InChI

InChI=1S/C9H16O4/c1-2-4-11-6-8-13-9-7-12-5-3-10/h1,10H,3-9H2

InChIKey

CXJWUJYYDLYCCQ-UHFFFAOYSA-N

Compound name

2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 204
Patents: 188.10486 Da
Monoisotopic Mass: -0.8
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]+	189.11214	138.8
[M+Na]+	211.09408	147.6
[M+NH4]+	206.13868	141.6
[M+K]+	227.06802	139.8
[M-H]-	187.09758	129.1
[M+Na-2H]-	209.07953	138.5
[M]+	188.10431	136.2
[M]-	188.10541	136.2

Literature stripe

literature stripe

Patent stripe

patents stripe