CID 14933479

Allylthio methyl selenide

Structural Information

Molecular Formula
C4H8SSe
SMILES
C[Se]SCC=C
InChI
InChI=1S/C4H8SSe/c1-3-4-5-6-2/h3H,1,4H2,2H3
InChIKey
XRZIJESAGNNCGP-UHFFFAOYSA-N
Compound name
3-methylselanylsulfanylprop-1-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

167.95119 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.95847 130.4
[M+Na]+ 190.94041 137.9
[M-H]- 166.94391 130.7
[M+NH4]+ 185.98501 153.7
[M+K]+ 206.91435 136.2
[M+H-H2O]+ 150.94845 125.5
[M+HCOO]- 212.94939 148.5
[M+CH3COO]- 226.96504 169.7
[M+Na-2H]- 188.92586 133.1
[M]+ 167.95064 132.7
[M]- 167.95174 132.7
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.