CID 73167

5430-77-3

Structural Information

Molecular Formula
C6H12N2S2
SMILES
CN1CCN(CC1)C(=S)S
InChI
InChI=1S/C6H12N2S2/c1-7-2-4-8(5-3-7)6(9)10/h2-5H2,1H3,(H,9,10)
InChIKey
ZRNARZDEJVFNSK-UHFFFAOYSA-N
Compound name
4-methylpiperazine-1-carbodithioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

41
Patents

176.04419 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.05147 133.4
[M+Na]+ 199.03341 140.5
[M-H]- 175.03691 133.8
[M+NH4]+ 194.07801 151.8
[M+K]+ 215.00735 137.4
[M+H-H2O]+ 159.04145 127.3
[M+HCOO]- 221.04239 140.3
[M+CH3COO]- 235.05804 178.1
[M+Na-2H]- 197.01886 132.6
[M]+ 176.04364 131.1
[M]- 176.04474 131.1
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.