CID 73327

N-(2-hydroxyethyl)isonicotinamide

Structural Information

Molecular Formula

C₈H₁₀N₂O₂

SMILES

C1=CN=CC=C1C(=O)NCCO

InChI

InChI=1S/C8H10N2O2/c11-6-5-10-8(12)7-1-3-9-4-2-7/h1-4,11H,5-6H2,(H,10,12)

InChIKey

QVPWDPDVDVVXIB-UHFFFAOYSA-N

Compound name

N-(2-hydroxyethyl)pyridine-4-carboxamide

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 2
References: 1664
Patents: 166.07423 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]+	167.081506	133.9
[M+Na]+	189.063448	140.5
[M-H]-	165.066954	134.8
[M+NH4]+	184.108053	151.9
[M+K]+	205.037388	138.6
[M+H-H2O]+	149.071490	127.2
[M+HCOO]-	211.072431	156.7
[M+CH3COO]-	225.088081	176.5
[M+Na-2H]-	187.048896	141.3
[M]+	166.07368142	132.8
[M]-	166.07477858	132.8

Literature stripe

literature stripe

Patent stripe

patents stripe