CID 6367244

Dtxsid901014926

Structural Information

Molecular Formula
C9H19N2O3S4
SMILES
CN(C)C(=S)[S+](CCCS(=O)(=O)O)C(=S)N(C)C
InChI
InChI=1S/C9H18N2O3S4/c1-10(2)8(15)17(9(16)11(3)4)6-5-7-18(12,13)14/h5-7H2,1-4H3/p+1
InChIKey
VBYZDIRQAGBSRB-UHFFFAOYSA-O
Compound name
bis(dimethylcarbamothioyl)-(3-sulfopropyl)sulfanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

331.02786 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.03514 163.9
[M+Na]+ 354.01708 167.6
[M+NH4]+ 349.06168 169.6
[M+K]+ 369.99102 161.5
[M-H]- 330.02058 163.0
[M+Na-2H]- 352.00253 163.0
[M]+ 331.02731 165.6
[M]- 331.02841 165.6
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.