CID 210334

21220-93-9

Structural Information

Molecular Formula
C11H25NO4S2
SMILES
COCCCCCCCCNCCSS(=O)(=O)O
InChI
InChI=1S/C11H25NO4S2/c1-16-10-7-5-3-2-4-6-8-12-9-11-17-18(13,14)15/h12H,2-11H2,1H3,(H,13,14,15)
InChIKey
DWXMWEXVGKTPSE-UHFFFAOYSA-N
Compound name
1-methoxy-8-(2-sulfosulfanylethylamino)octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.1225 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.12978 169.7
[M+Na]+ 322.11172 174.6
[M+NH4]+ 317.15632 174.6
[M+K]+ 338.08566 166.6
[M-H]- 298.11522 166.8
[M+Na-2H]- 320.09717 168.6
[M]+ 299.12195 170.0
[M]- 299.12305 170.0
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.