| SpectraBase Spectrum ID |
JFnYHGzcbVA |
| Name |
Amantadine 2ME |
| CAS Registry Number |
3717-40-6 |
| Classification |
Pharmaceutical drug derivative |
| Comments |
Spectrum verified by crosschecking against external libraries (two reference spectrum with similarity >= 99% found) |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
179.167399680 u |
| Formula |
C12H21N |
| InChI |
InChI=1S/C12H21N/c1-13(2)12-6-9-3-10(7-12)5-11(4-9)8-12/h9-11H,3-8H2,1-2H3/t9-,10+,11-,12- |
| InChIKey |
NFBYCNFAXLUGBT-CDECOKDKSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
179.307 g/mol |
| Nominal Mass |
179 u |
| Quality |
853 |
| Retention Index |
1444 |
| SMILES |
C12(N(C)C)C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H] |
| SPLASH |
splash10-00di-1900000000-9afe80222fe2aa47907f |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
1-Adamantanamine,N,N-dimethyl
N,N-dimethyltricyclo[3.3.1.1^(3,7)]decan-1-amine |
| Technique |
GC/MS |
| Wiley ID |
DD2024_000077 |
