CID 8179

Diethylene glycol diethyl ether

Structural Information

Molecular Formula

C₈H₁₈O₃

SMILES

CCOCCOCCOCC

InChI

InChI=1S/C8H18O3/c1-3-9-5-7-11-8-6-10-4-2/h3-8H2,1-2H3

InChIKey

RRQYJINTUHWNHW-UHFFFAOYSA-N

Compound name

1-ethoxy-2-(2-ethoxyethoxy)ethane

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 1
References: 107267
Patents: 162.1256 Da
Monoisotopic Mass: 0.4
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]+	163.13288	136.8
[M+Na]+	185.11482	143.1
[M-H]-	161.11832	136.7
[M+NH4]+	180.15942	157.8
[M+K]+	201.08876	143.9
[M+H-H2O]+	145.12286	131.6
[M+HCOO]-	207.12380	160.7
[M+CH3COO]-	221.13945	179.2
[M+Na-2H]-	183.10027	142.9
[M]+	162.12505	143.3
[M]-	162.12615	143.3

Literature stripe

literature stripe

Patent stripe

patents stripe