CID 213673

26864-83-5

Structural Information

Molecular Formula

C₈H₁₆N₂S₂

SMILES

CCN1CCN(CC1C)C(=S)S

InChI

InChI=1S/C8H16N2S2/c1-3-9-4-5-10(8(11)12)6-7(9)2/h7H,3-6H2,1-2H3,(H,11,12)

InChIKey

ZBEMXTSKOYPDSD-UHFFFAOYSA-N

Compound name

4-ethyl-3-methylpiperazine-1-carbodithioic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 204.07549 Da
Monoisotopic Mass: 1.5
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]+	205.082766	141.2
[M+Na]+	227.064708	148.2
[M-H]-	203.068214	141.6
[M+NH4]+	222.109313	158.8
[M+K]+	243.038648	144.6
[M+H-H2O]+	187.072750	135.0
[M+HCOO]-	249.073691	147.4
[M+CH3COO]-	263.089341	185.0
[M+Na-2H]-	225.050156	138.9
[M]+	204.07494142	140.0
[M]-	204.07603858	140.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe