CID 8200

Tetraethylene glycol

Structural Information

Molecular Formula

C₈H₁₈O₅

SMILES

C(COCCOCCOCCO)O

InChI

InChI=1S/C8H18O5/c9-1-3-11-5-7-13-8-6-12-4-2-10/h9-10H,1-8H2

InChIKey

UWHCKJMYHZGTIT-UHFFFAOYSA-N

Compound name

2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 53
References: 27718
Patents: 194.11542 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]+	195.12270	142.8
[M+Na]+	217.10464	148.0
[M-H]-	193.10814	139.6
[M+NH4]+	212.14924	160.8
[M+K]+	233.07858	147.8
[M+H-H2O]+	177.11268	137.3
[M+HCOO]-	239.11362	164.0
[M+CH3COO]-	253.12927	177.9
[M+Na-2H]-	215.09009	147.8
[M]+	194.11487	148.3
[M]-	194.11597	148.3

Literature stripe

literature stripe

Patent stripe

patents stripe