CID 94362

25961-89-1

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

3
Annotation Hits: 0
References: 2165
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]+	235.19038	156.9
[M+Na]+	257.17232	164.7
[M+NH4]+	252.21692	162.6
[M+K]+	273.14626	158.8
[M-H]-	233.17582	154.6
[M+Na-2H]-	255.15777	158.0
[M]+	234.18255	157.0
[M]-	234.18365	157.0

Literature stripe

literature stripe

Patent stripe

patents stripe