CID 3055227

72133-36-9

Structural Information

Molecular Formula

C₁₃H₁₁NO₄

SMILES

COC1=CC=C(C=C1)OC2=CN=C(C=C2)C(=O)O

InChI

InChI=1S/C13H11NO4/c1-17-9-2-4-10(5-3-9)18-11-6-7-12(13(15)16)14-8-11/h2-8H,1H3,(H,15,16)

InChIKey

DUABAGMUALWLPS-UHFFFAOYSA-N

Compound name

5-(4-methoxyphenoxy)pyridine-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 245.0688 Da
Monoisotopic Mass: 2.2
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]+	246.07608	151.4
[M+Na]+	268.05802	159.5
[M-H]-	244.06152	155.9
[M+NH4]+	263.10262	166.4
[M+K]+	284.03196	157.0
[M+H-H2O]+	228.06606	143.3
[M+HCOO]-	290.06700	173.3
[M+CH3COO]-	304.08265	189.7
[M+Na-2H]-	266.04347	157.0
[M]+	245.06825	153.9
[M]-	245.06935	153.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe