| SpectraBase Spectrum ID |
9L9oosWDEPw |
| Name |
1-(4-Nitrobenzoyl)-piperidine |
| CAS Registry Number |
20857-92-5 |
| Collision Energy |
25 eV |
| Copyright |
Copyright © 2012-2025 Herbert Oberacher. All Rights Reserved. |
| Exact Mass |
234.100442316 u |
| Formula |
C12H14N2O3 |
| InChI |
InChI=1S/C12H14N2O3/c15-12(13-8-2-1-3-9-13)10-4-6-11(7-5-10)14(16)17/h4-7H,1-3,8-9H2 |
| InChIKey |
CAKBAYWOHIUVHR-UHFFFAOYSA-N |
| Instrument Name |
QStar XL, AB Sciex |
| Ion Polarity |
P |
| Ionization Type |
ESI+ |
| Molecular Weight |
234.255 g/mol |
| Nominal Mass |
234 u |
| Precursor Ion |
[M+H]+ |
| Precursor m/z |
235.108 |
| SMILES |
C(=O)(N1CCCCC1)C1=CC=C(N(=O)=O)C=C1 |
| Selected Ion Charge |
1 |
| Source of Spectrum |
Herbert Oberacher, Institute of Legal Medicine, Innsbruck/Austria |
| Spectrum Type |
ms2 |
| Synonyms |
(4-nitrophenyl)-piperidin-1-ylmethanone |
| Technique |
Q-TOF |
| Wiley ID |
MSforID_+_648.4 |
