CID 6337179

Sodium lauryl nona(oxyethyl) sulfate

Structural Information

Molecular Formula
C30H62O13S
SMILES
CCCCCCCCCCCCC(CCCCCCCCCCCCCCCCCOOOOOOOOO)OS(=O)(=O)O
InChI
InChI=1S/C30H62O13S/c1-2-3-4-5-6-7-15-18-21-24-27-30(36-44(32,33)34)28-25-22-19-16-13-11-9-8-10-12-14-17-20-23-26-29-35-38-40-42-43-41-39-37-31/h30-31H,2-29H2,1H3,(H,32,33,34)
InChIKey
WWNWBQJSNYMWPD-UHFFFAOYSA-N
Compound name
30-(trioxidanylperoxyperoxyperoxy)triacontan-13-yl hydrogen sulfate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

662.3911 Da
Monoisotopic Mass

13.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 663.39838 269.8
[M+Na]+ 685.38032 266.3
[M-H]- 661.38382 258.0
[M+NH4]+ 680.42492 272.4
[M+K]+ 701.35426 266.5
[M+H-H2O]+ 645.38836 266.7
[M+HCOO]- 707.38930 275.4
[M+CH3COO]- 721.40495 259.7
[M+Na-2H]- 683.36577 248.6
[M]+ 662.39055 272.9
[M]- 662.39165 272.9
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.