| SpectraBase Spectrum ID |
2kn57ufisBE |
| Name |
MDAI NCS |
| Classification |
Designer drug, entactogen, derivative |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
219.035399706 u |
| Formula |
C11H9NO2S |
| InChI |
InChI=1S/C11H9NO2S/c15-5-12-9-1-7-3-10-11(14-6-13-10)4-8(7)2-9/h3-4,9H,1-2,6H2 |
| InChIKey |
ZHIFTVOZXDUWGP-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
219.258 g/mol |
| Nominal Mass |
219 u |
| Quality |
998 |
| Retention Index |
1689 |
| SMILES |
C1=2C(=CC3=C(C2)OCO3)CC(C1)N=C=S |
| SPLASH |
splash10-0gc0-2950000000-6b12342f23122d38f2dc |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
5,6-Methylenedioxy-2-aminoindane NCS
6-isothiocyanato-6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxole |
| Technique |
GC/MS |
| Wiley ID |
DD2024_014220 |
