| SpectraBase Compound ID | 6jTsNuVl6i8 |
|---|---|
| InChI | InChI=1S/C10H17NO3/c1-11-6-3-4-7(11)9(8(12)5-6)10(13)14-2/h6-9,12H,3-5H2,1-2H3/t6-,7+,8+,9-/m1/s1 |
| InChIKey | QIQNNBXHAYSQRY-RYPBNFRJSA-N |
| Mol Weight | 199.25 g/mol |
| Molecular Formula | C10H17NO3 |
| Exact Mass | 199.120843 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 67B3Qf0nbec |
|---|---|
| Name | Ecgonine, methyl ester |
| Alternate Name(s) | 8-Azabicyclo[3.2.1]octane-2-carboxylic acid, 3-hydroxy-8-methyl-, methyl ester, [1R-(exo,exo)]- (1S,3S,4R,5R)-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylic acid methyl ester 8-Azabicyclo[3.2.1]octane-2-carboxylic acid, 3-hydroxy-8-methyl-, methyl ester, (1R,2R,3S,5S)- Methyl (1R,2R,3S,5S)-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate Methyl (1S,3S,4R,5R)-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylate Methyl (1S,3S,4R,5R)-8-methyl-3-oxidanyl-8-azabicyclo[3.2.1]octane-4-carboxylate Methyl 3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate Methyl ecgonine |
| CAS Registry Number | 7143-09-1 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C10H17NO3 |
| InChI | InChI=1S/C10H17NO3/c1-11-6-3-4-7(11)9(8(12)5-6)10(13)14-2/h6-9,12H,3-5H2,1-2H3/t6-,7+,8+,9-/m1/s1 |
| InChIKey | QIQNNBXHAYSQRY-RYPBNFRJSA-N |
| Molecular Weight | 199.250 g/mol |
| SMILES | O[C@@]1([C@@]([C@]2(N([C@](C1)([H])CC2)C)[H])(C(=O)OC)[H])[H] |
| SPLASH | splash10-001m-9100000000-78274ca0af789b25e55c |
| Source of Spectrum | XD-150-0-0 |
| Wiley ID | 1196642 |