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

Formula: C11H13NO3


Canonical SMILES:
[O-][N+](=O)c1cc(OCC2CC2)ccc1C
InChI:
InChI=1S/C11H13NO3/c1-8-2-5-10(6-11(8)12(13)14)15-7-9-3-4-9/h2,5-6,9H,3-4,7H2,1H3
InChIKey:
NIRHPYIZGJDJAC-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, 30 °C), m/z (%): 207 (16) [M]+, 190 (6), 179 (11), 136 (9), 55 (100) [cyclopropyl methyl]+. HRMS–EI (C11H13O3N) (m/z): [M]+ calcd 207.0891; found 207.0890.
Datasets