CID 8199

Diethylene glycol monohexyl ether

Structural Information

Molecular Formula

C₁₀H₂₂O₃

SMILES

CCCCCCOCCOCCO

InChI

InChI=1S/C10H22O3/c1-2-3-4-5-7-12-9-10-13-8-6-11/h11H,2-10H2,1H3

InChIKey

GZMAAYIALGURDQ-UHFFFAOYSA-N

Compound name

2-(2-hexoxyethoxy)ethanol

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 2
References: 23641
Patents: 190.15689 Da
Monoisotopic Mass: 1.7
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]+	191.164166	146.7
[M+Na]+	213.146108	151.7
[M-H]-	189.149614	144.7
[M+NH4]+	208.190713	165.8
[M+K]+	229.120048	151.0
[M+H-H2O]+	173.154150	141.2
[M+HCOO]-	235.155091	168.4
[M+CH3COO]-	249.170741	182.5
[M+Na-2H]-	211.131556	151.1
[M]+	190.15634142	151.9
[M]-	190.15743858	151.9

Literature stripe

literature stripe

Patent stripe

patents stripe