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]+ 200.110366 151.0
[M+Na]+ 222.092308 158.7
[M-H]- 198.095814 151.1
[M+NH4]+ 217.136913 168.7
[M+K]+ 238.066248 156.8
[M+H-H2O]+ 182.100350 140.0
[M+HCOO]- 244.101291 162.0
[M+CH3COO]- 258.116941 195.2
[M+Na-2H]- 220.077756 151.7
[M]+ 199.10254142 148.4
[M]- 199.10363858 148.4
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.