CID 103477

65150-90-5

Structural Information

Molecular Formula
C20H40O6S
SMILES
CCCCCCCCC(CCCCCCCCCOC(=O)C)OS(=O)(=O)O
InChI
InChI=1S/C20H40O6S/c1-3-4-5-6-10-13-16-20(26-27(22,23)24)17-14-11-8-7-9-12-15-18-25-19(2)21/h20H,3-18H2,1-2H3,(H,22,23,24)
InChIKey
WGSSXAXPQCFBQD-UHFFFAOYSA-N
Compound name
10-sulfooxyoctadecyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

408.25455 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.26183 202.9
[M+Na]+ 431.24377 203.6
[M-H]- 407.24727 199.2
[M+NH4]+ 426.28837 210.1
[M+K]+ 447.21771 200.4
[M+H-H2O]+ 391.25181 195.6
[M+HCOO]- 453.25275 218.2
[M+CH3COO]- 467.26840 220.5
[M+Na-2H]- 429.22922 198.7
[M]+ 408.25400 214.2
[M]- 408.25510 214.3
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.