CID 213680

26864-94-8

Structural Information

Molecular Formula
C10H20N2S2
SMILES
CC1CN(CC(N1C(=S)S)C)C(C)C
InChI
InChI=1S/C10H20N2S2/c1-7(2)11-5-8(3)12(10(13)14)9(4)6-11/h7-9H,5-6H2,1-4H3,(H,13,14)
InChIKey
AUUKSGCUNJXWQX-UHFFFAOYSA-N
Compound name
2,6-dimethyl-4-propan-2-ylpiperazine-1-carbodithioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.1068 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.114076 148.5
[M+Na]+ 255.096018 155.0
[M-H]- 231.099524 148.8
[M+NH4]+ 250.140623 165.0
[M+K]+ 271.069958 151.3
[M+H-H2O]+ 215.104060 142.3
[M+HCOO]- 277.105001 152.8
[M+CH3COO]- 291.120651 192.9
[M+Na-2H]- 253.081466 143.8
[M]+ 232.10625142 147.7
[M]- 232.10734858 147.7
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.