CID 3055224

72133-30-3

Structural Information

Molecular Formula

C₁₂H₁₀N₂O₃

SMILES

C1=CC(=CC=C1N)OC2=CN=C(C=C2)C(=O)O

InChI

InChI=1S/C12H10N2O3/c13-8-1-3-9(4-2-8)17-10-5-6-11(12(15)16)14-7-10/h1-7H,13H2,(H,15,16)

InChIKey

JDPFQRJKJJKOOH-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 230.06914 Da
Monoisotopic Mass: 1.6
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]+	231.076416	148.5
[M+Na]+	253.058358	156.3
[M-H]-	229.061864	152.6
[M+NH4]+	248.102963	163.6
[M+K]+	269.032298	153.0
[M+H-H2O]+	213.066400	140.5
[M+HCOO]-	275.067341	171.0
[M+CH3COO]-	289.082991	189.1
[M+Na-2H]-	251.043806	154.0
[M]+	230.06859142	147.5
[M]-	230.06968858	147.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe