CID 13653435

C12-alkyl-8-ethoxy-sulfate

Structural Information

Molecular Formula
C28H58O12S
SMILES
CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOS(=O)(=O)O
InChI
InChI=1S/C28H58O12S/c1-2-3-4-5-6-7-8-9-10-11-12-32-13-14-33-15-16-34-17-18-35-19-20-36-21-22-37-23-24-38-25-26-39-27-28-40-41(29,30)31/h2-28H2,1H3,(H,29,30,31)
InChIKey
BHBLZGIVCIYBCP-UHFFFAOYSA-N
Compound name
2-[2-[2-[2-[2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl hydrogen sulfate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

618.36487 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 619.37215 259.1
[M+Na]+ 641.35409 257.1
[M-H]- 617.35759 246.4
[M+NH4]+ 636.39869 261.8
[M+K]+ 657.32803 256.0
[M+H-H2O]+ 601.36213 256.9
[M+HCOO]- 663.36307 269.7
[M+CH3COO]- 677.37872 254.0
[M+Na-2H]- 639.33954 239.6
[M]+ 618.36432 262.7
[M]- 618.36542 262.7
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.