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 167.6
[M+Na]+ 322.11172 171.1
[M-H]- 298.11522 164.7
[M+NH4]+ 317.15632 181.9
[M+K]+ 338.08566 166.4
[M+H-H2O]+ 282.11976 160.8
[M+HCOO]- 344.12070 177.5
[M+CH3COO]- 358.13635 199.5
[M+Na-2H]- 320.09717 167.8
[M]+ 299.12195 174.0
[M]- 299.12305 174.0
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.