CID 94362

Triethylene glycol monohexyl ether

Structural Information

Molecular Formula

C₁₂H₂₆O₄

SMILES

CCCCCCOCCOCCOCCO

InChI

InChI=1S/C12H26O4/c1-2-3-4-5-7-14-9-11-16-12-10-15-8-6-13/h13H,2-12H2,1H3

InChIKey

RGICCULPCWNRAB-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 2125
Patents: 234.1831 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]+	235.190376	158.2
[M+Na]+	257.172318	162.3
[M-H]-	233.175824	155.8
[M+NH4]+	252.216923	175.5
[M+K]+	273.146258	161.6
[M+H-H2O]+	217.180360	152.1
[M+HCOO]-	279.181301	179.5
[M+CH3COO]-	293.196951	190.5
[M+Na-2H]-	255.157766	161.6
[M]+	234.18255142	165.7
[M]-	234.18364858	165.7

Literature stripe

literature stripe

Patent stripe

patents stripe