CID 72598

Disodium 1,4-piperazinedicarbodithioate

Structural Information

Molecular Formula
C6H10N2S4
SMILES
C1CN(CCN1C(=S)S)C(=S)S
InChI
InChI=1S/C6H10N2S4/c9-5(10)7-1-2-8(4-3-7)6(11)12/h1-4H2,(H,9,10)(H,11,12)
InChIKey
PNKGVPLMWAEASD-UHFFFAOYSA-N
Compound name
piperazine-1,4-dicarbodithioic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

5
References

90
Patents

237.97269 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.97997 144.6
[M+Na]+ 260.96191 151.0
[M-H]- 236.96541 142.8
[M+NH4]+ 256.00651 159.1
[M+K]+ 276.93585 143.1
[M+H-H2O]+ 220.96995 138.8
[M+HCOO]- 282.97089 138.6
[M+CH3COO]- 296.98654 189.9
[M+Na-2H]- 258.94736 141.5
[M]+ 237.97214 138.4
[M]- 237.97324 138.4
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

patents stripe