CID 213684

3,4-dimethylpiperazine-1-carbodithioic acid

Structural Information

Molecular Formula
C7H14N2S2
SMILES
CC1CN(CCN1C)C(=S)S
InChI
InChI=1S/C7H14N2S2/c1-6-5-9(7(10)11)4-3-8(6)2/h6H,3-5H2,1-2H3,(H,10,11)
InChIKey
QLCFOYLGNRXXGN-UHFFFAOYSA-N
Compound name
3,4-dimethylpiperazine-1-carbodithioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.05984 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.06712 137.1
[M+Na]+ 213.04906 144.5
[M-H]- 189.05256 137.6
[M+NH4]+ 208.09366 155.2
[M+K]+ 229.02300 141.1
[M+H-H2O]+ 173.05710 131.1
[M+HCOO]- 235.05804 143.6
[M+CH3COO]- 249.07369 182.1
[M+Na-2H]- 211.03451 135.2
[M]+ 190.05929 135.5
[M]- 190.06039 135.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.