CID 201250

1-piperazinecarbodithioic acid, 4-propyl-, sodium salt

Structural Information

Molecular Formula
C8H16N2S2
SMILES
CCCN1CCN(CC1)C(=S)S
InChI
InChI=1S/C8H16N2S2/c1-2-3-9-4-6-10(7-5-9)8(11)12/h2-7H2,1H3,(H,11,12)
InChIKey
XSHAMYYHDWYMQR-UHFFFAOYSA-N
Compound name
4-propylpiperazine-1-carbodithioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
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 141.7
[M+Na]+ 227.064708 147.8
[M-H]- 203.068214 141.6
[M+NH4]+ 222.109313 158.9
[M+K]+ 243.038648 144.2
[M+H-H2O]+ 187.072750 135.2
[M+HCOO]- 249.073691 147.9
[M+CH3COO]- 263.089341 183.9
[M+Na-2H]- 225.050156 139.9
[M]+ 204.07494142 140.0
[M]- 204.07603858 140.0
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

patents stripe