CID 78116

Triethylene glycol monotridecyl ether

Structural Information

Molecular Formula

C₁₉H₄₀O₄

SMILES

CCCCCCCCCCCCCOCCOCCOCCO

InChI

InChI=1S/C19H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-14-21-16-18-23-19-17-22-15-13-20/h20H,2-19H2,1H3

InChIKey

KLFVDTRVIFNWIH-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 1267
Patents: 332.29266 Da
Monoisotopic Mass: 5.3
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]+	333.299936	189.4
[M+Na]+	355.281878	190.5
[M-H]-	331.285384	185.6
[M+NH4]+	350.326483	202.6
[M+K]+	371.255818	188.0
[M+H-H2O]+	315.289920	181.9
[M+HCOO]-	377.290861	208.3
[M+CH3COO]-	391.306511	211.3
[M+Na-2H]-	353.267326	189.1
[M]+	332.29211142	199.5
[M]-	332.29320858	199.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe