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 144.2
[M+Na]+ 210.09231 149.9
[M-H]- 186.09581 143.7
[M+NH4]+ 205.13691 163.9
[M+K]+ 226.06625 147.3
[M+H-H2O]+ 170.10035 139.0
[M+HCOO]- 232.10129 159.8
[M+CH3COO]- 246.11694 185.4
[M+Na-2H]- 208.07776 144.9
[M]+ 187.10254 145.6
[M]- 187.10364 145.6
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