CID 92246

Sodium myreth sulfate

Structural Information

Molecular Formula
C20H42O7S
SMILES
CCCCCCCCCCCCCCOCCOCCOCCOS(=O)(=O)O
InChI
InChI=1S/C20H42O7S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-24-15-16-25-17-18-26-19-20-27-28(21,22)23/h2-20H2,1H3,(H,21,22,23)
InChIKey
BKHHWOXTKOCMTN-UHFFFAOYSA-N
Compound name
2-[2-(2-tetradecoxyethoxy)ethoxy]ethyl hydrogen sulfate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

4616
Patents

426.26514 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.27242 205.7
[M+Na]+ 449.25436 209.4
[M+NH4]+ 444.29896 218.4
[M+K]+ 465.22830 215.4
[M-H]- 425.25786 205.2
[M+Na-2H]- 447.23981 202.5
[M]+ 426.26459 204.6
[M]- 426.26569 204.6
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

patents stripe