CID 3038150

2-pyridineacetamide, 5-ethylthio-

Structural Information

Molecular Formula
C9H12N2S
SMILES
CCC1=CN=C(C=C1)CC(=S)N
InChI
InChI=1S/C9H12N2S/c1-2-7-3-4-8(11-6-7)5-9(10)12/h3-4,6H,2,5H2,1H3,(H2,10,12)
InChIKey
NBCZIAOENOCGLV-UHFFFAOYSA-N
Compound name
2-(5-ethylpyridin-2-yl)ethanethioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

180.07211 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.07939 137.6
[M+Na]+ 203.06133 145.4
[M-H]- 179.06483 139.6
[M+NH4]+ 198.10593 156.5
[M+K]+ 219.03527 141.7
[M+H-H2O]+ 163.06937 131.1
[M+HCOO]- 225.07031 155.0
[M+CH3COO]- 239.08596 183.0
[M+Na-2H]- 201.04678 139.9
[M]+ 180.07156 137.4
[M]- 180.07266 137.4
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

patents stripe