CID 56637123

1-methyl-4-(methylsulfanyl)carbothioylpiperazine

Structural Information

Molecular Formula

C₇H₁₄N₂S₂

SMILES

CN1CCN(CC1)C(=S)SC

InChI

InChI=1S/C7H14N2S2/c1-8-3-5-9(6-4-8)7(10)11-2/h3-6H2,1-2H3

InChIKey

IMVFRUURAMHQKJ-UHFFFAOYSA-N

Compound name

methyl 4-methylpiperazine-1-carbodithioate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
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	137.8
[M+Na]+	213.04906	144.5
[M-H]-	189.05256	138.0
[M+NH4]+	208.09366	155.7
[M+K]+	229.02300	141.1
[M+H-H2O]+	173.05710	131.5
[M+HCOO]-	235.05804	144.3
[M+CH3COO]-	249.07369	180.3
[M+Na-2H]-	211.03451	136.5
[M]+	190.05929	135.7
[M]-	190.06039	135.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe