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

23447
Patents

190.15689 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.16417 146.7
[M+Na]+ 213.14611 151.7
[M-H]- 189.14961 144.7
[M+NH4]+ 208.19071 165.8
[M+K]+ 229.12005 151.0
[M+H-H2O]+ 173.15415 141.2
[M+HCOO]- 235.15509 168.4
[M+CH3COO]- 249.17074 182.5
[M+Na-2H]- 211.13156 151.1
[M]+ 190.15634 151.9
[M]- 190.15744 151.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.