CID 139594601

C13-alkyl-11-ethoxy-sulfate

Structural Information

Molecular Formula
C35H72O15S
SMILES
CCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOS(=O)(=O)O
InChI
InChI=1S/C35H72O15S/c1-2-3-4-5-6-7-8-9-10-11-12-13-39-14-15-40-16-17-41-18-19-42-20-21-43-22-23-44-24-25-45-26-27-46-28-29-47-30-31-48-32-33-49-34-35-50-51(36,37)38/h2-35H2,1H3,(H,36,37,38)
InChIKey
CQZOPQGONJYKPA-UHFFFAOYSA-N
Compound name
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-tridecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl hydrogen sulfate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

764.45917 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 765.46645 296.9
[M+Na]+ 787.44839 292.0
[M-H]- 763.45189 283.4
[M+NH4]+ 782.49299 301.6
[M+K]+ 803.42233 293.5
[M+H-H2O]+ 747.45643 294.2
[M+HCOO]- 809.45737 304.2
[M+CH3COO]- 823.47302 277.1
[M+Na-2H]- 785.43384 272.9
[M]+ 764.45862 302.5
[M]- 764.45972 302.5
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.