CID 82466

1,4-butanediyl bis(dimethyldithiocarbamate)

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]+ 297.05821 165.2
[M+Na]+ 319.04015 168.0
[M-H]- 295.04365 164.5
[M+NH4]+ 314.08475 179.9
[M+K]+ 335.01409 160.8
[M+H-H2O]+ 279.04819 156.8
[M+HCOO]- 341.04913 163.2
[M+CH3COO]- 355.06478 211.8
[M+Na-2H]- 317.02560 161.3
[M]+ 296.05038 164.8
[M]- 296.05148 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.