CID 210106

N-(morpholinomethyl)nicotinamide

Structural Information

Molecular Formula

C₁₁H₁₅N₃O₂

SMILES

C1COCCN1CNC(=O)C2=CN=CC=C2

InChI

InChI=1S/C11H15N3O2/c15-11(10-2-1-3-12-8-10)13-9-14-4-6-16-7-5-14/h1-3,8H,4-7,9H2,(H,13,15)

InChIKey

ONJOOOHFIDAJFM-UHFFFAOYSA-N

Compound name

N-(morpholin-4-ylmethyl)pyridine-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 12
Patents: 221.11642 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]+	222.12370	149.6
[M+Na]+	244.10564	153.6
[M-H]-	220.10914	153.0
[M+NH4]+	239.15024	162.6
[M+K]+	260.07958	152.5
[M+H-H2O]+	204.11368	140.1
[M+HCOO]-	266.11462	167.7
[M+CH3COO]-	280.13027	187.8
[M+Na-2H]-	242.09109	156.3
[M]+	221.11587	145.6
[M]-	221.11697	145.6

Literature stripe

literature stripe

Patent stripe

patents stripe