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
3
Annotation Hits

0
References

4618
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 205.0
[M+Na]+ 449.25436 205.5
[M-H]- 425.25786 199.7
[M+NH4]+ 444.29896 211.9
[M+K]+ 465.22830 202.5
[M+H-H2O]+ 409.26240 197.0
[M+HCOO]- 471.26334 226.7
[M+CH3COO]- 485.27899 222.4
[M+Na-2H]- 447.23981 203.3
[M]+ 426.26459 219.7
[M]- 426.26569 219.7
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