CID 8951

Selenium dimethyldithiocarbamate

Structural Information

Molecular Formula
C12H24N4S8Se
SMILES
CN(C)C(=S)S[Se](SC(=S)N(C)C)(SC(=S)N(C)C)SC(=S)N(C)C
InChI
InChI=1S/C12H24N4S8Se/c1-13(2)9(17)21-25(22-10(18)14(3)4,23-11(19)15(5)6)24-12(20)16(7)8/h1-8H3
InChIKey
HXKCUQDTMDYZJD-UHFFFAOYSA-N
Compound name
[tris(dimethylcarbamothioylsulfanyl)-lambda4-selanyl] N,N-dimethylcarbamodithioate
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

0
References

2330
Patents

559.8932 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 560.90048 255.3
[M+Na]+ 582.88242 251.4
[M-H]- 558.88592 245.4
[M+NH4]+ 577.92702 255.4
[M+K]+ 598.85636 231.8
[M+H-H2O]+ 542.89046 241.4
[M+HCOO]- 604.89140 227.4
[M+CH3COO]- 618.90705 248.2
[M+Na-2H]- 580.86787 256.1
[M]+ 559.89265 233.8
[M]- 559.89375 233.8
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

patents stripe