CID 28875517

1086379-95-4

Structural Information

Molecular Formula

C₁₀H₇NO₃

SMILES

C1=COC(=C1)C2=NC=CC(=C2)C(=O)O

InChI

InChI=1S/C10H7NO3/c12-10(13)7-3-4-11-8(6-7)9-2-1-5-14-9/h1-6H,(H,12,13)

InChIKey

RDJBDQGUVODXPZ-UHFFFAOYSA-N

Compound name

2-(furan-2-yl)pyridine-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 189.04259 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]+	190.049866	136.3
[M+Na]+	212.031808	145.0
[M-H]-	188.035314	141.7
[M+NH4]+	207.076413	154.1
[M+K]+	228.005748	143.7
[M+H-H2O]+	172.039850	129.6
[M+HCOO]-	234.040791	159.0
[M+CH3COO]-	248.056441	177.2
[M+Na-2H]-	210.017256	142.4
[M]+	189.04204142	137.4
[M]-	189.04313858	137.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.