CID 14393052

2-ethylnicotinamide

Structural Information

Molecular Formula

C₈H₁₀N₂O

SMILES

CCC1=C(C=CC=N1)C(=O)N

InChI

InChI=1S/C8H10N2O/c1-2-7-6(8(9)11)4-3-5-10-7/h3-5H,2H2,1H3,(H2,9,11)

InChIKey

GOIWNSRZUNIIRY-UHFFFAOYSA-N

Compound name

2-ethylpyridine-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 422
Patents: 150.07932 Da
Monoisotopic Mass: 0.6
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]+	151.08660	130.4
[M+Na]+	173.06854	138.4
[M-H]-	149.07204	132.6
[M+NH4]+	168.11314	149.9
[M+K]+	189.04248	136.6
[M+H-H2O]+	133.07658	124.0
[M+HCOO]-	195.07752	153.9
[M+CH3COO]-	209.09317	178.1
[M+Na-2H]-	171.05399	136.6
[M]+	150.07877	129.2
[M]-	150.07987	129.2

Literature stripe

literature stripe

Patent stripe

patents stripe