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]+ 357.96628 182.6
[M+Na]+ 379.94822 185.3
[M-H]- 355.95172 177.1
[M+NH4]+ 374.99282 189.9
[M+K]+ 395.92216 171.4
[M+H-H2O]+ 339.95626 175.3
[M+HCOO]- 401.95720 164.3
[M+CH3COO]- 415.97285 216.6
[M+Na-2H]- 377.93367 180.6
[M]+ 356.95845 168.9
[M]- 356.95955 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.