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

Formula: C12H11N3O


Canonical SMILES:
c1coc(c1)CNc1ccc2c(c1)[nH]cn2
InChI:
InChI=1S/C12H11N3O/c1-2-10(16-5-1)7-13-9-3-4-11-12(6-9)15-8-14-11/h1-6,8,13H,7H2,(H,14,15)
InChIKey:
HIUMIDUFEJBHNY-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, 150 °C), m/z (%): 215 (37) [M+H]+, 214 (48) [M]+, 133 (18), 81 (100) [2-Methyl-furan]+, 53 (23). HRMS–EI (C12H12ON3) (m/z): [M]+ calcd 214.0975; found 214.0975.
Datasets