CID 94362

Triethylene glycol monohexyl ether

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

2247
Patents

234.1831 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.19038 158.2
[M+Na]+ 257.17232 162.3
[M-H]- 233.17582 155.8
[M+NH4]+ 252.21692 175.5
[M+K]+ 273.14626 161.6
[M+H-H2O]+ 217.18036 152.1
[M+HCOO]- 279.18130 179.5
[M+CH3COO]- 293.19695 190.5
[M+Na-2H]- 255.15777 161.6
[M]+ 234.18255 165.7
[M]- 234.18365 165.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe