CID 113067

Einecs 263-928-7

Structural Information

Molecular Formula
C25H52O10S
SMILES
CCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOS(=O)(=O)O
InChI
InChI=1S/C25H52O10S/c1-2-3-4-5-6-7-8-9-10-11-12-13-29-14-15-30-16-17-31-18-19-32-20-21-33-22-23-34-24-25-35-36(26,27)28/h2-25H2,1H3,(H,26,27,28)
InChIKey
HFJHRIIHBNHCLJ-UHFFFAOYSA-N
Compound name
2-[2-[2-[2-[2-(2-tridecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl hydrogen sulfate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

544.3281 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 545.33538 240.7
[M+Na]+ 567.31732 240.3
[M-H]- 543.32082 227.9
[M+NH4]+ 562.36192 242.1
[M+K]+ 583.29126 238.2
[M+H-H2O]+ 527.32536 238.6
[M+HCOO]- 589.32630 252.7
[M+CH3COO]- 603.34195 242.2
[M+Na-2H]- 565.30277 223.4
[M]+ 544.32755 243.7
[M]- 544.32865 243.7
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.