CID 8190

Triethylene glycol monoethyl ether

Structural Information

Molecular Formula

C₈H₁₈O₄

SMILES

CCOCCOCCOCCO

InChI

InChI=1S/C8H18O4/c1-2-10-5-6-12-8-7-11-4-3-9/h9H,2-8H2,1H3

InChIKey

WFSMVVDJSNMRAR-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 4
References: 51836
Patents: 178.12051 Da
Monoisotopic Mass: -0.7
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]+	179.12779	140.0
[M+Na]+	201.10973	145.8
[M-H]-	177.11323	138.3
[M+NH4]+	196.15433	159.5
[M+K]+	217.08367	146.1
[M+H-H2O]+	161.11777	134.7
[M+HCOO]-	223.11871	162.6
[M+CH3COO]-	237.13436	178.5
[M+Na-2H]-	199.09518	145.5
[M]+	178.11996	146.0
[M]-	178.12106	146.0

Literature stripe

literature stripe

Patent stripe

patents stripe