CID 66829

Picadex

Structural Information

Molecular Formula

C₅H₁₀N₂S₂

SMILES

C1CN(CCN1)C(=S)S

InChI

InChI=1S/C5H10N2S2/c8-5(9)7-3-1-6-2-4-7/h6H,1-4H2,(H,8,9)

InChIKey

IDIICHZCEIGXGB-UHFFFAOYSA-N

Compound name

piperazine-1-carbodithioic acid

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 6
References: 314
Patents: 162.02853 Da
Monoisotopic Mass: 0.3
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]+	163.035806	130.0
[M+Na]+	185.017748	136.1
[M-H]-	161.021254	128.7
[M+NH4]+	180.062353	147.8
[M+K]+	200.991688	132.4
[M+H-H2O]+	145.025790	124.1
[M+HCOO]-	207.026731	135.7
[M+CH3COO]-	221.042381	171.4
[M+Na-2H]-	183.003196	129.8
[M]+	162.02798142	125.0
[M]-	162.02907858	125.0

Literature stripe

literature stripe

Patent stripe

patents stripe