CID 82466

10225-01-1

Structural Information

Molecular Formula
C10H20N2S4
SMILES
CN(C)C(=S)SCCCCSC(=S)N(C)C
InChI
InChI=1S/C10H20N2S4/c1-11(2)9(13)15-7-5-6-8-16-10(14)12(3)4/h5-8H2,1-4H3
InChIKey
NLILEBBDWYPPKA-UHFFFAOYSA-N
Compound name
4-(dimethylcarbamothioylsulfanyl)butyl N,N-dimethylcarbamodithioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.05093 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.058206 165.2
[M+Na]+ 319.040148 168.0
[M-H]- 295.043654 164.5
[M+NH4]+ 314.084753 179.9
[M+K]+ 335.014088 160.8
[M+H-H2O]+ 279.048190 156.8
[M+HCOO]- 341.049131 163.2
[M+CH3COO]- 355.064781 211.8
[M+Na-2H]- 317.025596 161.3
[M]+ 296.05038142 164.8
[M]- 296.05147858 164.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.