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

Formula: C12H15NO2


Canonical SMILES:
COCCOc1ccc2c(c1)[nH]cc2C
InChI:
InChI=1S/C12H15NO2/c1-9-8-13-12-7-10(3-4-11(9)12)15-6-5-14-2/h3-4,7-8,13H,5-6H2,1-2H3
InChIKey:
QKMXDPUMHVPEKS-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, 80 °C), m/z (%): 205 (44) [M]+, 147 (100) [M - methoxy ethyl]+, 130 (11), 118 (22), 59 (61) [methoxy ethyl]+. HRMS–EI (C12H15NO2) (m/z): [M]+ calcd 205.1097; found 205.1097.
Datasets