CID 161256

2-[bis(ethylsulfanyl)methylidene]propanedinitrile

Structural Information

Molecular Formula
C8H10N2S2
SMILES
CCSC(=C(C#N)C#N)SCC
InChI
InChI=1S/C8H10N2S2/c1-3-11-8(12-4-2)7(5-9)6-10/h3-4H2,1-2H3
InChIKey
FJQWUIXBQMGVPS-UHFFFAOYSA-N
Compound name
2-[bis(ethylsulfanyl)methylidene]propanedinitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

6
Patents

198.02853 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.035806 160.3
[M+Na]+ 221.017748 169.2
[M-H]- 197.021254 164.3
[M+NH4]+ 216.062353 174.1
[M+K]+ 236.991688 168.3
[M+H-H2O]+ 181.025790 146.3
[M+HCOO]- 243.026731 164.1
[M+CH3COO]- 257.042381 216.1
[M+Na-2H]- 219.003196 158.2
[M]+ 198.02798142 154.8
[M]- 198.02907858 154.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe