CID 22032862

2247102-38-9

Structural Information

Molecular Formula

C₁₁H₈N₂O₃

SMILES

C1=CC(=CN=C1)OC2=C(C=CC=N2)C(=O)O

InChI

InChI=1S/C11H8N2O3/c14-11(15)9-4-2-6-13-10(9)16-8-3-1-5-12-7-8/h1-7H,(H,14,15)

InChIKey

BBOCDFBQFGUCCI-UHFFFAOYSA-N

Compound name

2-pyridin-3-yloxypyridine-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 216.0535 Da
Monoisotopic Mass: 1.2
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]+	217.06078	144.0
[M+Na]+	239.04272	152.2
[M-H]-	215.04622	147.0
[M+NH4]+	234.08732	158.6
[M+K]+	255.01666	149.3
[M+H-H2O]+	199.05076	135.4
[M+HCOO]-	261.05170	165.1
[M+CH3COO]-	275.06735	183.2
[M+Na-2H]-	237.02817	151.5
[M]+	216.05295	144.5
[M]-	216.05405	144.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe