CID 48386

Butyramide, 2-allylthio-2-ethyl-n-methyl-

Structural Information

Molecular Formula
C10H19NOS
SMILES
CCC(CC)(C(=O)NC)SCC=C
InChI
InChI=1S/C10H19NOS/c1-5-8-13-10(6-2,7-3)9(12)11-4/h5H,1,6-8H2,2-4H3,(H,11,12)
InChIKey
VWMYKAKTFDWXNE-UHFFFAOYSA-N
Compound name
2-ethyl-N-methyl-2-prop-2-enylsulfanylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

201.11873 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.12601 148.4
[M+Na]+ 224.10795 153.8
[M-H]- 200.11145 148.4
[M+NH4]+ 219.15255 168.0
[M+K]+ 240.08189 151.4
[M+H-H2O]+ 184.11599 143.1
[M+HCOO]- 246.11693 164.4
[M+CH3COO]- 260.13258 188.4
[M+Na-2H]- 222.09340 149.7
[M]+ 201.11818 151.2
[M]- 201.11928 151.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.