CID 213685

26865-08-7

Structural Information

Molecular Formula
C8H16N2S2
SMILES
CC1CN(C(CN1C(=S)S)C)C
InChI
InChI=1S/C8H16N2S2/c1-6-5-10(8(11)12)7(2)4-9(6)3/h6-7H,4-5H2,1-3H3,(H,11,12)
InChIKey
LGBYSCYDRCGDMF-UHFFFAOYSA-N
Compound name
2,4,5-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 145.6
[M+Na]+ 227.06471 155.9
[M+NH4]+ 222.10931 154.2
[M+K]+ 243.03865 146.6
[M-H]- 203.06821 146.9
[M+Na-2H]- 225.05016 147.8
[M]+ 204.07494 148.3
[M]- 204.07604 148.3
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.