CID 13127728

C13-alkyl-4-ethoxy-sulfate

Structural Information

Molecular Formula
C21H44O8S
SMILES
CCCCCCCCCCCCCOCCOCCOCCOCCOS(=O)(=O)O
InChI
InChI=1S/C21H44O8S/c1-2-3-4-5-6-7-8-9-10-11-12-13-25-14-15-26-16-17-27-18-19-28-20-21-29-30(22,23)24/h2-21H2,1H3,(H,22,23,24)
InChIKey
WNCBVFJYAHNHDS-UHFFFAOYSA-N
Compound name
2-[2-[2-(2-tridecoxyethoxy)ethoxy]ethoxy]ethyl hydrogen sulfate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

456.2757 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 457.28298 219.2
[M+Na]+ 479.26492 220.6
[M-H]- 455.26842 206.6
[M+NH4]+ 474.30952 219.3
[M+K]+ 495.23886 217.1
[M+H-H2O]+ 439.27296 202.5
[M+HCOO]- 501.27390 233.0
[M+CH3COO]- 515.28955 227.2
[M+Na-2H]- 477.25037 209.2
[M]+ 456.27515 222.1
[M]- 456.27625 222.1
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.