CID 73167

5430-77-3

Structural Information

Molecular Formula

C₆H₁₂N₂S₂

SMILES

CN1CCN(CC1)C(=S)S

InChI

InChI=1S/C6H12N2S2/c1-7-2-4-8(5-3-7)6(9)10/h2-5H2,1H3,(H,9,10)

InChIKey

ZRNARZDEJVFNSK-UHFFFAOYSA-N

Compound name

4-methylpiperazine-1-carbodithioic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 34
Patents: 176.04419 Da
Monoisotopic Mass: 0.7
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]+	177.05147	133.4
[M+Na]+	199.03341	140.5
[M-H]-	175.03691	133.8
[M+NH4]+	194.07801	151.8
[M+K]+	215.00735	137.4
[M+H-H2O]+	159.04145	127.3
[M+HCOO]-	221.04239	140.3
[M+CH3COO]-	235.05804	178.1
[M+Na-2H]-	197.01886	132.6
[M]+	176.04364	131.1
[M]-	176.04474	131.1

Literature stripe

literature stripe

Patent stripe

patents stripe