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-ethyl-2-pyridinyl)ethanethioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

180.07211 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.079386 137.6
[M+Na]+ 203.061328 145.4
[M-H]- 179.064834 139.6
[M+NH4]+ 198.105933 156.5
[M+K]+ 219.035268 141.7
[M+H-H2O]+ 163.069370 131.1
[M+HCOO]- 225.070311 155.0
[M+CH3COO]- 239.085961 183.0
[M+Na-2H]- 201.046776 139.9
[M]+ 180.07156142 137.4
[M]- 180.07265858 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