CID 526723

Triethylene glycol monodecyl ether

Structural Information

Molecular Formula

C₁₆H₃₄O₄

SMILES

CCCCCCCCCCOCCOCCOCCO

InChI

InChI=1S/C16H34O4/c1-2-3-4-5-6-7-8-9-11-18-13-15-20-16-14-19-12-10-17/h17H,2-16H2,1H3

InChIKey

UKODLHVFJRCQME-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1041
Patents: 290.2457 Da
Monoisotopic Mass: 3.7
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]+	291.25298	174.4
[M+Na]+	313.23492	181.5
[M+NH4]+	308.27952	179.4
[M+K]+	329.20886	174.6
[M-H]-	289.23842	172.0
[M+Na-2H]-	311.22037	174.5
[M]+	290.24515	174.3
[M]-	290.24625	174.3

Literature stripe

literature stripe

Patent stripe

patents stripe