CID 2776460

6-morpholinonicotinic acid

Structural Information

Molecular Formula

C₁₀H₁₂N₂O₃

SMILES

C1COCCN1C2=NC=C(C=C2)C(=O)O

InChI

InChI=1S/C10H12N2O3/c13-10(14)8-1-2-9(11-7-8)12-3-5-15-6-4-12/h1-2,7H,3-6H2,(H,13,14)

InChIKey

XXDSDFLDYNISKD-UHFFFAOYSA-N

Compound name

6-morpholin-4-ylpyridine-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 542
Patents: 208.0848 Da
Monoisotopic Mass: 0.5
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]+	209.09208	144.5
[M+Na]+	231.07402	150.2
[M-H]-	207.07752	147.2
[M+NH4]+	226.11862	157.9
[M+K]+	247.04796	149.1
[M+H-H2O]+	191.08206	136.0
[M+HCOO]-	253.08300	160.6
[M+CH3COO]-	267.09865	181.3
[M+Na-2H]-	229.05947	150.1
[M]+	208.08425	141.0
[M]-	208.08535	141.0

Literature stripe

literature stripe

Patent stripe

patents stripe