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 151.0
[M+Na]+ 222.09231 158.7
[M-H]- 198.09581 151.1
[M+NH4]+ 217.13691 168.7
[M+K]+ 238.06625 156.8
[M+H-H2O]+ 182.10035 140.0
[M+HCOO]- 244.10129 162.0
[M+CH3COO]- 258.11694 195.2
[M+Na-2H]- 220.07776 151.7
[M]+ 199.10254 148.4
[M]- 199.10364 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.