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

2
Annotation Hits: 1
References: 2136
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]+	167.08151	133.9
[M+Na]+	189.06345	140.5
[M-H]-	165.06695	134.8
[M+NH4]+	184.10805	151.9
[M+K]+	205.03739	138.6
[M+H-H2O]+	149.07149	127.2
[M+HCOO]-	211.07243	156.7
[M+CH3COO]-	225.08808	176.5
[M+Na-2H]-	187.04890	141.3
[M]+	166.07368	132.8
[M]-	166.07478	132.8

Literature stripe

literature stripe

Patent stripe

patents stripe