| SpectraBase Spectrum ID |
77IjiVm2Azd |
| Name |
Hexobarbital |
| CAS Registry Number |
56-29-1 |
| Collision Energy |
25 eV |
| Copyright |
Copyright © 2012-2025 Herbert Oberacher. All Rights Reserved. |
| Exact Mass |
236.116092380 u |
| Formula |
C12H16N2O3 |
| InChI |
InChI=1S/C12H16N2O3/c1-12(8-6-4-3-5-7-8)9(15)13-11(17)14(2)10(12)16/h6H,3-5,7H2,1-2H3,(H,13,15,17) |
| InChIKey |
UYXAWHWODHRRMR-UHFFFAOYSA-N |
| Instrument Name |
QStar XL, AB Sciex |
| Ion Polarity |
N |
| Ionization Type |
ESI- |
| Molecular Weight |
236.271 g/mol |
| Nominal Mass |
236 u |
| Precursor Ion |
[M-H]- |
| Precursor m/z |
235.109 |
| SMILES |
N1C(N(C(C(C1=O)(C=1CCCCC1)C)=O)C)=O |
| Selected Ion Charge |
-1 |
| Source of Spectrum |
Herbert Oberacher, Institute of Legal Medicine, Innsbruck/Austria |
| Spectrum Type |
ms2 |
| Synonyms |
5-(cyclohexen-1-yl)-1,5-dimethyl-1,3-diazinane-2,4,6-trione |
| Technique |
Q-TOF |
| Wiley ID |
MSforID_-_77.4 |
