CID 206962

28980-12-3

Structural Information

Molecular Formula
C8H16N2S2
SMILES
CC1CN(CC(N1C)C)C(=S)S
InChI
InChI=1S/C8H16N2S2/c1-6-4-10(8(11)12)5-7(2)9(6)3/h6-7H,4-5H2,1-3H3,(H,11,12)
InChIKey
ODWZDFLGPMNSGB-UHFFFAOYSA-N
Compound name
3,4,5-trimethylpiperazine-1-carbodithioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

204.07549 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.082766 140.7
[M+Na]+ 227.064708 148.4
[M-H]- 203.068214 141.3
[M+NH4]+ 222.109313 158.4
[M+K]+ 243.038648 144.7
[M+H-H2O]+ 187.072750 134.7
[M+HCOO]- 249.073691 146.7
[M+CH3COO]- 263.089341 186.2
[M+Na-2H]- 225.050156 137.7
[M]+ 204.07494142 139.8
[M]- 204.07603858 139.8
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.