| SpectraBase Compound ID | 7fuxtVzYUC9 |
|---|---|
| InChI | InChI=1S/C9H12NO3/c1-6-3-4-8(11)5-10(6)7(2)9(12)13/h3-5,7,11H,1-2H3,(H,12,13) |
| InChIKey | SJDXOQNAJGNIHM-UHFFFAOYSA-N |
| Mol Weight | 182.2 g/mol |
| Molecular Formula | C9H12NO3 |
| Exact Mass | 182.081718 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | HGQKZMpmNMb |
|---|---|
| Name | 2-(3-Hydroxy-6-methylpyridinium)propionic acid |
| CAS Registry Number | 26511-47-7 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C9H11NO3 |
| InChI | InChI=1S/C9H12NO3/c1-6-3-4-8(11)5-10(6)7(2)9(12)13/h3-5,7,11H,1-2H3,(H,12,13) |
| InChIKey | SJDXOQNAJGNIHM-UHFFFAOYSA-N |
| Molecular Weight | 182.199 g/mol |
| SMILES | Oc1ccc([n](C(C(=O)O)C)c1)C |
| SPLASH | splash10-07bo-6900000000-1ab2c61a294ca6dfae27 |
| Source of Spectrum | NP-3-367-0 |
| Wiley ID | 1102042 |