CID 10735

N,n-diethylisonicotinamide

Structural Information

Molecular Formula

C₁₀H₁₄N₂O

SMILES

CCN(CC)C(=O)C1=CC=NC=C1

InChI

InChI=1S/C10H14N2O/c1-3-12(4-2)10(13)9-5-7-11-8-6-9/h5-8H,3-4H2,1-2H3

InChIKey

CDQAJSRQKGFYDY-UHFFFAOYSA-N

Compound name

N,N-diethylpyridine-4-carboxamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 59
Patents: 178.11061 Da
Monoisotopic Mass: 1.0
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]+	179.11789	139.4
[M+Na]+	201.09983	145.8
[M-H]-	177.10333	142.9
[M+NH4]+	196.14443	158.5
[M+K]+	217.07377	145.3
[M+H-H2O]+	161.10787	132.1
[M+HCOO]-	223.10881	163.4
[M+CH3COO]-	237.12446	186.6
[M+Na-2H]-	199.08528	145.6
[M]+	178.11006	140.8
[M]-	178.11116	140.8

Literature stripe

literature stripe

Patent stripe

patents stripe