CID 213678

26864-91-5

Structural Information

Molecular Formula
C9H16N2S2
SMILES
CC1CN(CCN1C(=S)S)CC=C
InChI
InChI=1S/C9H16N2S2/c1-3-4-10-5-6-11(9(12)13)8(2)7-10/h3,8H,1,4-7H2,2H3,(H,12,13)
InChIKey
DTUSDRMCSFNVBF-UHFFFAOYSA-N
Compound name
2-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 148.8
[M+Na]+ 239.06471 158.6
[M+NH4]+ 234.10931 157.0
[M+K]+ 255.03865 148.8
[M-H]- 215.06821 149.7
[M+Na-2H]- 237.05016 150.8
[M]+ 216.07494 151.2
[M]- 216.07604 151.2
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.