CID 46428

2-allylthio-2-ethylbutyramide

Structural Information

Molecular Formula
C9H17NOS
SMILES
CCC(CC)(C(=O)N)SCC=C
InChI
InChI=1S/C9H17NOS/c1-4-7-12-9(5-2,6-3)8(10)11/h4H,1,5-7H2,2-3H3,(H2,10,11)
InChIKey
DYAWASAZUYPBDU-UHFFFAOYSA-N
Compound name
2-ethyl-2-prop-2-enylsulfanylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

187.10309 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.11037 146.1
[M+Na]+ 210.09231 153.7
[M+NH4]+ 205.13691 153.1
[M+K]+ 226.06625 147.0
[M-H]- 186.09581 144.9
[M+Na-2H]- 208.07776 147.5
[M]+ 187.10254 147.0
[M]- 187.10364 147.0
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.