CID 3004056

2,5-piperazinedithione

Structural Information

Molecular Formula
C4H6N2S2
SMILES
C1C(=S)NCC(=S)N1
InChI
InChI=1S/C4H6N2S2/c7-3-1-5-4(8)2-6-3/h1-2H2,(H,5,8)(H,6,7)
InChIKey
WZZNXLLUTNONRL-UHFFFAOYSA-N
Compound name
piperazine-2,5-dithione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

38
Patents

145.99724 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.00452 125.3
[M+Na]+ 168.98646 132.8
[M-H]- 144.98996 123.0
[M+NH4]+ 164.03106 143.2
[M+K]+ 184.96040 127.1
[M+H-H2O]+ 128.99450 120.1
[M+HCOO]- 190.99544 131.0
[M+CH3COO]- 205.01109 136.2
[M+Na-2H]- 166.97191 125.4
[M]+ 145.99669 118.5
[M]- 145.99779 118.5
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