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]+ 233.11408 149.8
[M+Na]+ 255.09602 155.1
[M-H]- 231.09952 149.4
[M+NH4]+ 250.14062 166.0
[M+K]+ 271.06996 151.0
[M+H-H2O]+ 215.10406 142.9
[M+HCOO]- 277.10500 155.5
[M+CH3COO]- 291.12065 189.8
[M+Na-2H]- 253.08147 147.2
[M]+ 232.10625 148.9
[M]- 232.10735 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.