CID 207978

31328-28-6

Structural Information

Molecular Formula

C₆H₁₂N₂S₂

SMILES

CC1CNCCN1SC=S

InChI

InChI=1S/C6H12N2S2/c1-6-4-7-2-3-8(6)10-5-9/h5-7H,2-4H2,1H3

InChIKey

HHTLNCAVEAKGOY-UHFFFAOYSA-N

Compound name

(2-methylpiperazin-1-yl) methanedithioate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 176.04419 Da
Monoisotopic Mass: 0.9
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	140.2
[M-H]-	175.03691	132.2
[M+NH4]+	194.07801	151.0
[M+K]+	215.00735	135.7
[M+H-H2O]+	159.04145	127.4
[M+HCOO]-	221.04239	139.8
[M+CH3COO]-	235.05804	175.3
[M+Na-2H]-	197.01886	133.1
[M]+	176.04364	129.8
[M]-	176.04474	129.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.