CID 207032

29053-49-4

Structural Information

Molecular Formula
C8H16N2S2
SMILES
CN(C)C1CCN(CC1)C(=S)S
InChI
InChI=1S/C8H16N2S2/c1-9(2)7-3-5-10(6-4-7)8(11)12/h7H,3-6H2,1-2H3,(H,11,12)
InChIKey
DXEQYGVSRDSYKB-UHFFFAOYSA-N
Compound name
4-(dimethylamino)piperidine-1-carbodithioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.07549 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.082766 141.9
[M+Na]+ 227.064708 147.1
[M-H]- 203.068214 144.5
[M+NH4]+ 222.109313 160.6
[M+K]+ 243.038648 144.7
[M+H-H2O]+ 187.072750 135.3
[M+HCOO]- 249.073691 150.5
[M+CH3COO]- 263.089341 189.4
[M+Na-2H]- 225.050156 140.3
[M]+ 204.07494142 140.2
[M]- 204.07603858 140.2
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.