CID 4138878

Hexaethylene glycol monohexadecyl ether

Structural Information

Molecular Formula
C28H58O7
SMILES
CCCCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCO
InChI
InChI=1S/C28H58O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-30-19-21-32-23-25-34-27-28-35-26-24-33-22-20-31-18-16-29/h29H,2-28H2,1H3
InChIKey
UOFCAQWHTQFNHS-UHFFFAOYSA-N
Compound name
2-[2-[2-[2-[2-(2-hexadecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1669
Patents

506.41824 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 507.42552 239.7
[M+Na]+ 529.40746 241.7
[M-H]- 505.41096 223.5
[M+NH4]+ 524.45206 237.8
[M+K]+ 545.38140 239.2
[M+H-H2O]+ 489.41550 239.2
[M+HCOO]- 551.41644 249.9
[M+CH3COO]- 565.43209 242.6
[M+Na-2H]- 527.39291 222.9
[M]+ 506.41769 239.7
[M]- 506.41879 239.7
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