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

Formula: C12H15NO


Canonical SMILES:
C1Cc2c(N1)cc(cc2)OCC1CC1
InChI:
InChI=1S/C12H15NO/c1-2-9(1)8-14-11-4-3-10-5-6-13-12(10)7-11/h3-4,7,9,13H,1-2,5-6,8H2
InChIKey:
ZXEQARPTHZHTRZ-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 (%): 189 (46) [M]+, 135 (100) [M - cyclopropyl methyl]+, 106 (14), 55 (12). HRMS–EI (C12H15NO) (m/z): [M]+ calcd 189.1147; found 189.1148.
Datasets