CID 84144

Carbonimidodithioic acid, cyano-, di-2-propenyl ester

Structural Information

Molecular Formula
C8H10N2S2
SMILES
C=CCSC(=NC#N)SCC=C
InChI
InChI=1S/C8H10N2S2/c1-3-5-11-8(10-7-9)12-6-4-2/h3-4H,1-2,5-6H2
InChIKey
ITZIFGHDBMXDGN-UHFFFAOYSA-N
Compound name
bis(prop-2-enylsulfanyl)methylidenecyanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

198.02853 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.035806 147.6
[M+Na]+ 221.017748 156.4
[M-H]- 197.021254 150.4
[M+NH4]+ 216.062353 166.3
[M+K]+ 236.991688 153.6
[M+H-H2O]+ 181.025790 135.5
[M+HCOO]- 243.026731 158.3
[M+CH3COO]- 257.042381 198.3
[M+Na-2H]- 219.003196 147.5
[M]+ 198.02798142 145.5
[M]- 198.02907858 145.5
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

patents stripe