CID 210336

Brn 3055061

Structural Information

Molecular Formula
C12H27NO4S2
SMILES
CCCCCCCCC(CO)NCCSS(=O)(=O)O
InChI
InChI=1S/C12H27NO4S2/c1-2-3-4-5-6-7-8-12(11-14)13-9-10-18-19(15,16)17/h12-14H,2-11H2,1H3,(H,15,16,17)
InChIKey
ASIGPKVMVQVJFF-UHFFFAOYSA-N
Compound name
1-hydroxy-2-(2-sulfosulfanylethylamino)decane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.13815 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.14543 173.3
[M+Na]+ 336.12737 177.0
[M+NH4]+ 331.17197 177.5
[M+K]+ 352.10131 170.0
[M-H]- 312.13087 169.5
[M+Na-2H]- 334.11282 171.2
[M]+ 313.13760 173.1
[M]- 313.13870 173.1
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.