CID 48205

2-ethyl-n-methyl-2-(2-propynylthio)butyramide

Structural Information

Molecular Formula
C10H17NOS
SMILES
CCC(CC)(C(=O)NC)SCC#C
InChI
InChI=1S/C10H17NOS/c1-5-8-13-10(6-2,7-3)9(12)11-4/h1H,6-8H2,2-4H3,(H,11,12)
InChIKey
PDKGIQNOBNUVBI-UHFFFAOYSA-N
Compound name
2-ethyl-N-methyl-2-prop-2-ynylsulfanylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.10309 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.11037 142.9
[M+Na]+ 222.09231 151.0
[M+NH4]+ 217.13691 146.7
[M+K]+ 238.06625 141.7
[M-H]- 198.09581 134.5
[M+Na-2H]- 220.07776 142.7
[M]+ 199.10254 141.1
[M]- 199.10364 141.1
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.