| SpectraBase Spectrum ID |
A2BNAtKFR4l |
| Name |
(+/-)-Nicotine |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
22083-74-5 |
| ChEBI ID |
17688 |
| Comments |
100 mM (+/-) nicotine - vendor: sigma n0267; Solvent: D2O; Buffers, etc: 50 mM Sodium Phosphate, 500 uM NaAzide; Temperature=298 K, pH=7.4; NMR Reference: 500 uM DSS; Bruker DMX 400MHz
(Data collected by Madison Metabolomics Consortium) |
| Copyright |
Database Compilation Copyright © 2021-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Data Source |
Madison Metabolomics Consortium |
| Formula |
C10H14N2 |
| IUPAC Name |
3-[(2S)-1-methylpyrrolidin-2-yl]pyridine |
| InChI |
InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3 |
| InChIKey |
SNICXCGAKADSCV-UHFFFAOYSA-N |
| KEGG Compound ID |
C00745 |
| KEGG Pathways |
PATH: map00960 Alkaloid biosynthesis II |
| PubChem Compound ID |
942 |
| SMILES |
CN1CCCC1C2=CN=CC=C2 |
| Source File Reference |
bmse000105 |
