CID 101727788

C13-alkyl-5-ethoxy-sulfate

Structural Information

Molecular Formula
C23H48O9S
SMILES
CCCCCCCCCCCCCOCCOCCOCCOCCOCCOS(=O)(=O)O
InChI
InChI=1S/C23H48O9S/c1-2-3-4-5-6-7-8-9-10-11-12-13-27-14-15-28-16-17-29-18-19-30-20-21-31-22-23-32-33(24,25)26/h2-23H2,1H3,(H,24,25,26)
InChIKey
ZPYMSTPUPJZMMW-UHFFFAOYSA-N
Compound name
2-[2-[2-[2-(2-tridecoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl hydrogen sulfate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

500.3019 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 501.30918 229.9
[M+Na]+ 523.29112 230.4
[M-H]- 499.29462 217.2
[M+NH4]+ 518.33572 230.6
[M+K]+ 539.26506 227.6
[M+H-H2O]+ 483.29916 228.0
[M+HCOO]- 545.30010 242.8
[M+CH3COO]- 559.31575 234.8
[M+Na-2H]- 521.27657 214.0
[M]+ 500.30135 232.8
[M]- 500.30245 232.8
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.