CID 207095

29140-57-6

Structural Information

Molecular Formula

C₇H₁₄N₂S₂

SMILES

CCN1CCN(CC1)C(=S)S

InChI

InChI=1S/C7H14N2S2/c1-2-8-3-5-9(6-4-8)7(10)11/h2-6H2,1H3,(H,10,11)

InChIKey

ZZSXTAVHGOGRSK-UHFFFAOYSA-N

Compound name

4-ethylpiperazine-1-carbodithioic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 190.05984 Da
Monoisotopic Mass: 1.1
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	137.6
[M+Na]+	213.04906	144.1
[M-H]-	189.05256	137.7
[M+NH4]+	208.09366	155.4
[M+K]+	229.02300	140.8
[M+H-H2O]+	173.05710	131.2
[M+HCOO]-	235.05804	144.1
[M+CH3COO]-	249.07369	181.0
[M+Na-2H]-	211.03451	136.3
[M]+	190.05929	135.6
[M]-	190.06039	135.6

Literature stripe

literature stripe

Patent stripe

patents stripe