CID 201255

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

Structural Information

Molecular Formula
C10H20N2S2
SMILES
CCCCCN1CCN(CC1)C(=S)S
InChI
InChI=1S/C10H20N2S2/c1-2-3-4-5-11-6-8-12(9-7-11)10(13)14/h2-9H2,1H3,(H,13,14)
InChIKey
SYHCUZMDDBAINP-UHFFFAOYSA-N
Compound name
4-pentylpiperazine-1-carbodithioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.1068 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.114076 149.8
[M+Na]+ 255.096018 155.1
[M-H]- 231.099524 149.4
[M+NH4]+ 250.140623 166.0
[M+K]+ 271.069958 151.0
[M+H-H2O]+ 215.104060 142.9
[M+HCOO]- 277.105001 155.5
[M+CH3COO]- 291.120651 189.8
[M+Na-2H]- 253.081466 147.2
[M]+ 232.10625142 148.9
[M]- 232.10734858 148.9
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.