CID 81248

Dodecaethylene glycol

Structural Information

Molecular Formula
C24H50O13
SMILES
C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)O
InChI
InChI=1S/C24H50O13/c25-1-3-27-5-7-29-9-11-31-13-15-33-17-19-35-21-23-37-24-22-36-20-18-34-16-14-32-12-10-30-8-6-28-4-2-26/h25-26H,1-24H2
InChIKey
WRZXKWFJEFFURH-UHFFFAOYSA-N
Compound name
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

4194
Patents

546.32513 Da
Monoisotopic Mass

-2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 547.332406 245.3
[M+Na]+ 569.314348 243.7
[M-H]- 545.317854 234.0
[M+NH4]+ 564.358953 245.6
[M+K]+ 585.288288 239.0
[M+H-H2O]+ 529.322390 244.7
[M+HCOO]- 591.323331 255.0
[M+CH3COO]- 605.338981 240.1
[M+Na-2H]- 567.299796 226.8
[M]+ 546.32458142 245.3
[M]- 546.32567858 245.3
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