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

0
Patents

204.07549 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.08277 140.7
[M+Na]+ 227.06471 148.4
[M-H]- 203.06821 141.3
[M+NH4]+ 222.10931 158.4
[M+K]+ 243.03865 144.7
[M+H-H2O]+ 187.07275 134.7
[M+HCOO]- 249.07369 146.7
[M+CH3COO]- 263.08934 186.2
[M+Na-2H]- 225.05016 137.7
[M]+ 204.07494 139.8
[M]- 204.07604 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.