CID 24229576

886851-55-4

Structural Information

Molecular Formula

C₁₁H₁₃NO₄

SMILES

C1COCCC1OC2=NC=C(C=C2)C(=O)O

InChI

InChI=1S/C11H13NO4/c13-11(14)8-1-2-10(12-7-8)16-9-3-5-15-6-4-9/h1-2,7,9H,3-6H2,(H,13,14)

InChIKey

OLOSQIMMFCSJHD-UHFFFAOYSA-N

Compound name

6-(oxan-4-yloxy)pyridine-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 45
Patents: 223.08446 Da
Monoisotopic Mass: 1.1
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]+	224.09174	148.0
[M+Na]+	246.07368	159.5
[M+NH4]+	241.11828	154.9
[M+K]+	262.04762	155.0
[M-H]-	222.07718	151.1
[M+Na-2H]-	244.05913	153.7
[M]+	223.08391	150.2
[M]-	223.08501	150.2

Literature stripe

literature stripe

Patent stripe

patents stripe