This information is based on the molecular structure shown on the left side. For a decoupled sample, please refer to its individual details.

Formula: C13H15NO2


Canonical SMILES:
OCc1cc2c([nH]1)cc(cc2)OCC1CC1
InChI:
InChI=1S/C13H15NO2/c15-7-11-5-10-3-4-12(6-13(10)14-11)16-8-9-1-2-9/h3-6,9,14-15H,1-2,7-8H2
InChIKey:
LUENMAYUYMFEPN-UHFFFAOYSA-N
Exact Mass:
Crosslinks:   


Published on 2023-07-31No License

 

mass spectrometry (MS) 
Author: Niklas Krappel1

1. IBCS-FMS, Karlsruhe Institute of Technology, Germany

Analysis DOI:
Analysis ID:
Content:   
MS (EI, 70 eV, 100 °C), m/z (%): 217 (75) [M]+, 163 (100) [M - cyclopropyl methyl]+, 146 (30), 134 (16), 116 (38), 89 (11), 55 (22). HRMS–EI (C13H15O2N) (m/z): [M]+ calcd 217.1097; found 217.1099.
Datasets