CID 213682

26864-97-1

Structural Information

Molecular Formula
C9H18N2S2
SMILES
CC1CN(CCN1C(C)C)C(=S)S
InChI
InChI=1S/C9H18N2S2/c1-7(2)11-5-4-10(9(12)13)6-8(11)3/h7-8H,4-6H2,1-3H3,(H,12,13)
InChIKey
WZKAOQQHKGXRKE-UHFFFAOYSA-N
Compound name
3-methyl-4-propan-2-ylpiperazine-1-carbodithioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.09114 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.09842 145.1
[M+Na]+ 241.08036 151.2
[M-H]- 217.08386 145.2
[M+NH4]+ 236.12496 161.9
[M+K]+ 257.05430 147.8
[M+H-H2O]+ 201.08840 138.8
[M+HCOO]- 263.08934 149.8
[M+CH3COO]- 277.10499 188.8
[M+Na-2H]- 239.06581 141.4
[M]+ 218.09059 143.6
[M]- 218.09169 143.6
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.