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]+ 199.03581 147.6
[M+Na]+ 221.01775 156.4
[M-H]- 197.02125 150.4
[M+NH4]+ 216.06235 166.3
[M+K]+ 236.99169 153.6
[M+H-H2O]+ 181.02579 135.5
[M+HCOO]- 243.02673 158.3
[M+CH3COO]- 257.04238 198.3
[M+Na-2H]- 219.00320 147.5
[M]+ 198.02798 145.5
[M]- 198.02908 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