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 171.8
[M+Na]+ 336.12737 174.0
[M-H]- 312.13087 167.2
[M+NH4]+ 331.17197 184.7
[M+K]+ 352.10131 168.7
[M+H-H2O]+ 296.13541 165.1
[M+HCOO]- 358.13635 178.8
[M+CH3COO]- 372.15200 200.7
[M+Na-2H]- 334.11282 170.3
[M]+ 313.13760 176.1
[M]- 313.13870 176.1
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.