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

5
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 166.7
[M+Na]+ 354.01708 168.0
[M-H]- 330.02058 164.4
[M+NH4]+ 349.06168 178.2
[M+K]+ 369.99102 156.1
[M+H-H2O]+ 314.02512 161.1
[M+HCOO]- 376.02606 162.3
[M+CH3COO]- 390.04171 204.6
[M+Na-2H]- 352.00253 167.1
[M]+ 331.02731 163.2
[M]- 331.02841 163.2
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

patents stripe