CID 14497139

Peg 20

Structural Information

Molecular Formula
C40H82O21
SMILES
C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)O
InChI
InChI=1S/C40H82O21/c41-1-3-43-5-7-45-9-11-47-13-15-49-17-19-51-21-23-53-25-27-55-29-31-57-33-35-59-37-39-61-40-38-60-36-34-58-32-30-56-28-26-54-24-22-52-20-18-50-16-14-48-12-10-46-8-6-44-4-2-42/h41-42H,1-40H2
InChIKey
ZHMUMDLGQBRJIW-UHFFFAOYSA-N
Compound name
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

89
References

261
Patents

898.53485 Da
Monoisotopic Mass

-3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 899.54213 341.3
[M+Na]+ 921.52407 332.6
[M-H]- 897.52757 328.8
[M+NH4]+ 916.56867 346.9
[M+K]+ 937.49801 333.5
[M+H-H2O]+ 881.53211 339.3
[M+HCOO]- 943.53305 342.9
[M+CH3COO]- 957.54870 292.7
[M+Na-2H]- 919.50952 311.9
[M]+ 898.53430 348.7
[M]- 898.53540 348.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.