CID 2724258

Brij-35

Structural Information

Molecular Formula
C58H118O24
SMILES
CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO
InChI
InChI=1S/C58H118O24/c1-2-3-4-5-6-7-8-9-10-11-13-60-15-17-62-19-21-64-23-25-66-27-29-68-31-33-70-35-37-72-39-41-74-43-45-76-47-49-78-51-53-80-55-57-82-58-56-81-54-52-79-50-48-77-46-44-75-42-40-73-38-36-71-34-32-69-30-28-67-26-24-65-22-20-63-18-16-61-14-12-59/h59H,2-58H2,1H3
InChIKey
IEQAICDLOKRSRL-UHFFFAOYSA-N
Compound name
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethoxy]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
1
Annotation Hits

89
References

34244
Patents

1198.8013 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1199.808576 417.2
[M+Na]+ 1221.790518 405.5
[M-H]- 1197.794024 400.7
[M+NH4]+ 1216.835123 427.3
[M+K]+ 1237.764458 412.7
[M+H-H2O]+ 1181.798560 415.0
[M+HCOO]- 1243.799501 412.7
[M+CH3COO]- 1257.815151 333.4
[M+Na-2H]- 1219.775966 380.9
[M]+ 1198.80075142 434.4
[M]- 1198.80184858 434.4
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.