Systematic / IUPAC Name: 3-Pyridin-3-ylpropanoic acid
ID: Reference13830
Other Names:
3-Pyridinepropionic acid;
AA-4305
Formula: C8H9NO2
Class: Endogenous Metabolites
3-(Pyridin-3-yl)propanoic acid mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
| Used Instruments | Orbitrap ID-X with ETD_Cal Gateshead |
| No. of Spectral Trees | 2 |
| No. of Spectra | 345 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 3/12/2026 3:18:57 PM |
| InChI | InChI=1S/C8H9NO2/c10-8(11)4-3-7-2-1-5-9-6-7/h1-2,5-6H,3-4H2,(H,10,11) |
| InChI Key | WDGXIUUWINKTGP-UHFFFAOYSA-N |
| Canonical SMILES | O=C(O)CCc1cccnc1 |
| CAS | |
| Splash | |
| Other Names |
3-Pyridinepropionic acid; AA-4305 |
| ChemSpider | 227872 |
| ChEMBL | CHEMBL1725941 |
| PubChem | 259624; 259624 |