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

35
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

literature stripe

Patent stripe

patents stripe