CID 78007

N-ethylnicotinamide

Structural Information

Molecular Formula

C₈H₁₀N₂O

SMILES

CCNC(=O)C1=CN=CC=C1

InChI

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

InChIKey

ZXOAHASJYIUCBG-UHFFFAOYSA-N

Compound name

N-ethylpyridine-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 3
References: 1109
Patents: 150.07932 Da
Monoisotopic Mass: 0.3
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]+	151.086596	130.4
[M+Na]+	173.068538	137.5
[M-H]-	149.072044	132.7
[M+NH4]+	168.113143	149.9
[M+K]+	189.042478	136.0
[M+H-H2O]+	133.076580	123.7
[M+HCOO]-	195.077521	154.5
[M+CH3COO]-	209.093171	177.0
[M+Na-2H]-	171.053986	138.3
[M]+	150.07877142	129.7
[M]-	150.07986858	129.7

Literature stripe

literature stripe

Patent stripe

patents stripe