CID 139597484

C13-alkyl-8-ethoxy-sulfate

Structural Information

Molecular Formula
C29H60O12S
SMILES
CCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOS(=O)(=O)O
InChI
InChI=1S/C29H60O12S/c1-2-3-4-5-6-7-8-9-10-11-12-13-33-14-15-34-16-17-35-18-19-36-20-21-37-22-23-38-24-25-39-26-27-40-28-29-41-42(30,31)32/h2-29H2,1H3,(H,30,31,32)
InChIKey
VMVQDUSWHRVLBE-UHFFFAOYSA-N
Compound name
2-[2-[2-[2-[2-[2-[2-(2-tridecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl hydrogen sulfate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

632.38055 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 633.38783 262.8
[M+Na]+ 655.36977 260.5
[M-H]- 631.37327 249.7
[M+NH4]+ 650.41437 265.5
[M+K]+ 671.34371 259.9
[M+H-H2O]+ 615.37781 260.4
[M+HCOO]- 677.37875 273.0
[M+CH3COO]- 691.39440 256.7
[M+Na-2H]- 653.35522 242.8
[M]+ 632.38000 266.4
[M]- 632.38110 266.4
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.