| SpectraBase Spectrum ID |
Lp41FH9P5TA |
| Name |
Cornecain |
| CAS Registry Number |
3686-68-8 |
| Collision Energy |
35 eV |
| Copyright |
Copyright © 2012-2025 Herbert Oberacher. All Rights Reserved. |
| Exact Mass |
281.186517670 u |
| Formula |
C15H25N2O3 |
| InChI |
InChI=1S/C15H24N2O3/c1-4-9-16-13-7-5-12(6-8-13)15(19)20-11-14(18)10-17(2)3/h5-8,14,16,18H,4,9-11H2,1-3H3/p+1 |
| InChIKey |
SIVHMKRQTQHNIO-UHFFFAOYSA-O |
| Instrument Name |
QStar XL, AB Sciex |
| Ion Polarity |
P |
| Ionization Type |
ESI+ |
| Molecular Weight |
281.376 g/mol |
| Nominal Mass |
281 u |
| Precursor Ion |
[M]+ |
| Precursor m/z |
281.186 |
| SMILES |
OC(COC(C1=CC=C(NCCC)C=C1)=O)C[NH+](C)C |
| Selected Ion Charge |
1 |
| Source of Spectrum |
Herbert Oberacher, Institute of Legal Medicine, Innsbruck/Austria |
| Spectrum Type |
ms2 |
| Synonyms |
[2-hydroxy-3-[4-(propylamino)benzoyl]oxypropyl]-dimethylazanium chloride |
| Technique |
Q-TOF |
| Wiley ID |
MSforID_+_247.6 |
