CID 101727791

C13-alkyl-7-ethoxy-sulfate

Structural Information

Molecular Formula
C27H56O11S
SMILES
CCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOS(=O)(=O)O
InChI
InChI=1S/C27H56O11S/c1-2-3-4-5-6-7-8-9-10-11-12-13-31-14-15-32-16-17-33-18-19-34-20-21-35-22-23-36-24-25-37-26-27-38-39(28,29)30/h2-27H2,1H3,(H,28,29,30)
InChIKey
YGKSAWGEOSNFCW-UHFFFAOYSA-N
Compound name
2-[2-[2-[2-[2-[2-(2-tridecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl hydrogen sulfate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

588.3543 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 589.36158 251.7
[M+Na]+ 611.34352 250.3
[M-H]- 587.34702 238.7
[M+NH4]+ 606.38812 253.7
[M+K]+ 627.31746 249.0
[M+H-H2O]+ 571.35156 249.5
[M+HCOO]- 633.35250 262.8
[M+CH3COO]- 647.36815 249.5
[M+Na-2H]- 609.32897 233.0
[M]+ 588.35375 254.9
[M]- 588.35485 254.9
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.