CID 213684

26865-07-6

Structural Information

Molecular Formula

C₇H₁₄N₂S₂

SMILES

CC1CN(CCN1C)C(=S)S

InChI

InChI=1S/C7H14N2S2/c1-6-5-9(7(10)11)4-3-8(6)2/h6H,3-5H2,1-2H3,(H,10,11)

InChIKey

QLCFOYLGNRXXGN-UHFFFAOYSA-N

Compound name

3,4-dimethylpiperazine-1-carbodithioic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 190.05984 Da
Monoisotopic Mass: 1.2
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]+	191.06712	140.8
[M+Na]+	213.04906	151.0
[M+NH4]+	208.09366	149.5
[M+K]+	229.02300	141.7
[M-H]-	189.05256	142.0
[M+Na-2H]-	211.03451	143.4
[M]+	190.05929	143.4
[M]-	190.06039	143.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.