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: 89
Patents: 237.97269 Da
Monoisotopic Mass: 1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	238.97997	143.0
[M+Na]+	260.96191	150.7
[M+NH4]+	256.00651	151.4
[M+K]+	276.93585	140.0
[M-H]-	236.96541	144.1
[M+Na-2H]-	258.94736	143.7
[M]+	237.97214	146.0
[M]-	237.97324	146.0

Literature stripe

literature stripe

Patent stripe

patents stripe