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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	181.07939	138.6
[M+Na]+	203.06133	150.2
[M+NH4]+	198.10593	147.2
[M+K]+	219.03527	141.9
[M-H]-	179.06483	141.0
[M+Na-2H]-	201.04678	144.5
[M]+	180.07156	141.3
[M]-	180.07266	141.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe