CID 113549

2,4,7,10-tetraoxadodecane-1,12-diol

Structural Information

Molecular Formula

C₈H₁₈O₆

SMILES

C(COCCOCCOCOCO)O

InChI

InChI=1S/C8H18O6/c9-1-2-11-3-4-12-5-6-13-8-14-7-10/h9-10H,1-8H2

InChIKey

ZEAFLXVVHBSTHI-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 210.11034 Da
Monoisotopic Mass: -1.5
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]+	211.117616	144.7
[M+Na]+	233.099558	149.8
[M-H]-	209.103064	141.4
[M+NH4]+	228.144163	161.9
[M+K]+	249.073498	150.2
[M+H-H2O]+	193.107600	138.9
[M+HCOO]-	255.108541	166.2
[M+CH3COO]-	269.124191	180.0
[M+Na-2H]-	231.085006	149.9
[M]+	210.10979142	151.6
[M]-	210.11088858	151.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.