CID 213675

26864-86-8

Structural Information

Molecular Formula
C9H16N2S2
SMILES
CC1CN(CCN1CC=C)C(=S)S
InChI
InChI=1S/C9H16N2S2/c1-3-4-10-5-6-11(9(12)13)7-8(10)2/h3,8H,1,4-7H2,2H3,(H,12,13)
InChIKey
ZNEUVSAMMMDFJN-UHFFFAOYSA-N
Compound name
3-methyl-4-prop-2-enylpiperazine-1-carbodithioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.07549 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.08277 144.7
[M+Na]+ 239.06471 151.5
[M-H]- 215.06821 144.8
[M+NH4]+ 234.10931 161.6
[M+K]+ 255.03865 147.0
[M+H-H2O]+ 199.07275 138.3
[M+HCOO]- 261.07369 150.7
[M+CH3COO]- 275.08934 187.1
[M+Na-2H]- 237.05016 141.9
[M]+ 216.07494 143.1
[M]- 216.07604 143.1
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.