CID 73557119

109066-21-9

Structural Information

Molecular Formula
C9H15N3S6
SMILES
C1CN(CCN1CCN(C(=S)S)C(=S)S)C(=S)S
InChI
InChI=1S/C9H15N3S6/c13-7(14)11-4-1-10(2-5-11)3-6-12(8(15)16)9(17)18/h1-6H2,(H,13,14)(H,15,16)(H,17,18)
InChIKey
UFBBGOOICHPFEX-UHFFFAOYSA-N
Compound name
4-[2-[bis(dithiocarboxy)amino]ethyl]piperazine-1-carbodithioic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

356.959 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.966276 182.6
[M+Na]+ 379.948218 185.3
[M-H]- 355.951724 177.1
[M+NH4]+ 374.992823 189.9
[M+K]+ 395.922158 171.4
[M+H-H2O]+ 339.956260 175.3
[M+HCOO]- 401.957201 164.3
[M+CH3COO]- 415.972851 216.6
[M+Na-2H]- 377.933666 180.6
[M]+ 356.95845142 168.9
[M]- 356.95954858 168.9
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.