CID 105324

66197-75-9

Structural Information

Molecular Formula
C26H54O11S
SMILES
CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOS(=O)(=O)O
InChI
InChI=1S/C26H54O11S/c1-2-3-4-5-6-7-8-9-10-11-12-30-13-14-31-15-16-32-17-18-33-19-20-34-21-22-35-23-24-36-25-26-37-38(27,28)29/h2-26H2,1H3,(H,27,28,29)
InChIKey
FZACGOAIMANYDC-UHFFFAOYSA-N
Compound name
2-[2-[2-[2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl hydrogen sulfate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

574.3387 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 575.34598 248.0
[M+Na]+ 597.32792 246.8
[M-H]- 573.33142 235.4
[M+NH4]+ 592.37252 250.0
[M+K]+ 613.30186 245.1
[M+H-H2O]+ 557.33596 245.9
[M+HCOO]- 619.33690 259.5
[M+CH3COO]- 633.35255 246.8
[M+Na-2H]- 595.31337 229.8
[M]+ 574.33815 251.2
[M]- 574.33925 251.2
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.