CID 6426656

C12-alkyl-5-ethoxy-sulfate

Structural Information

Molecular Formula
C22H46O9S
SMILES
CCCCCCCCCCCCOCCOCCOCCOCCOCCOS(=O)(=O)O
InChI
InChI=1S/C22H46O9S/c1-2-3-4-5-6-7-8-9-10-11-12-26-13-14-27-15-16-28-17-18-29-19-20-30-21-22-31-32(23,24)25/h2-22H2,1H3,(H,23,24,25)
InChIKey
PGQXGWUGIBIDNM-UHFFFAOYSA-N
Compound name
2-[2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl hydrogen sulfate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

486.28625 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 487.29353 226.1
[M+Na]+ 509.27547 226.8
[M-H]- 485.27897 213.8
[M+NH4]+ 504.32007 226.9
[M+K]+ 525.24941 223.6
[M+H-H2O]+ 469.28351 224.3
[M+HCOO]- 531.28445 239.4
[M+CH3COO]- 545.30010 231.9
[M+Na-2H]- 507.26092 210.7
[M]+ 486.28570 229.1
[M]- 486.28680 229.1
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.