CID 56637123

98428-90-1

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	140.2
[M+Na]+	213.04906	150.1
[M+NH4]+	208.09366	149.0
[M+K]+	229.02300	140.7
[M-H]-	189.05256	141.5
[M+Na-2H]-	211.03451	143.1
[M]+	190.05929	142.8
[M]-	190.06039	142.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe