CID 3021595

2-(ethylthio)ethyl vinyl selenide

Structural Information

Molecular Formula
C6H12SSe
SMILES
CCSCC[Se]C=C
InChI
InChI=1S/C6H12SSe/c1-3-7-5-6-8-4-2/h4H,2-3,5-6H2,1H3
InChIKey
VHHKGTVEBMUNPQ-UHFFFAOYSA-N
Compound name
1-ethenylselanyl-2-ethylsulfanylethane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.98248 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.98976 139.3
[M+Na]+ 218.97170 146.0
[M-H]- 194.97520 139.2
[M+NH4]+ 214.01630 161.5
[M+K]+ 234.94564 143.8
[M+H-H2O]+ 178.97974 134.0
[M+HCOO]- 240.98068 156.8
[M+CH3COO]- 254.99633 175.7
[M+Na-2H]- 216.95715 141.0
[M]+ 195.98193 142.4
[M]- 195.98303 142.4
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

No patent data available for this compound.