CID 656641

Polidocanol

Structural Information

Molecular Formula
C30H62O10
SMILES
CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO
InChI
InChI=1S/C30H62O10/c1-2-3-4-5-6-7-8-9-10-11-13-32-15-17-34-19-21-36-23-25-38-27-29-40-30-28-39-26-24-37-22-20-35-18-16-33-14-12-31/h31H,2-30H2,1H3
InChIKey
ONJQDTZCDSESIW-UHFFFAOYSA-N
Compound name
2-[2-[2-[2-[2-[2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

440
References

22560
Patents

582.4343 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 583.44158 256.3
[M+Na]+ 605.42352 256.3
[M-H]- 581.42702 241.3
[M+NH4]+ 600.46812 256.6
[M+K]+ 621.39746 254.3
[M+H-H2O]+ 565.43156 255.9
[M+HCOO]- 627.43250 265.6
[M+CH3COO]- 641.44815 253.3
[M+Na-2H]- 603.40897 237.3
[M]+ 582.43375 256.7
[M]- 582.43485 256.7
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