CID 18281

Pentaethylene glycol monododecyl ether

Structural Information

Molecular Formula
C22H46O6
SMILES
CCCCCCCCCCCCOCCOCCOCCOCCOCCO
InChI
InChI=1S/C22H46O6/c1-2-3-4-5-6-7-8-9-10-11-13-24-15-17-26-19-21-28-22-20-27-18-16-25-14-12-23/h23H,2-22H2,1H3
InChIKey
LAPRIVJANDLWOK-UHFFFAOYSA-N
Compound name
2-[2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

24
References

9121
Patents

406.32944 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.33672 206.3
[M+Na]+ 429.31866 205.9
[M-H]- 405.32216 201.8
[M+NH4]+ 424.36326 212.4
[M+K]+ 445.29260 203.8
[M+H-H2O]+ 389.32670 197.7
[M+HCOO]- 451.32764 227.3
[M+CH3COO]- 465.34329 223.7
[M+Na-2H]- 427.30411 204.9
[M]+ 406.32889 220.4
[M]- 406.32999 220.4
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