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

Formula: C12H12N2O3


Canonical SMILES:
O=C(Nc1ccc2c(c1)[nH]cc2)CCC(=O)O
InChI:
InChI=1S/C12H12N2O3/c15-11(3-4-12(16)17)14-9-2-1-8-5-6-13-10(8)7-9/h1-2,5-7,13H,3-4H2,(H,14,15)(H,16,17)
InChIKey:
QPAHTTFCCFCZPE-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, 120 °C), m/z (%): 233 (36) [M]+, 133 (100), 105 (17). HRMS–EI (C12H13O3N2) (m/z): [M]+ calcd 233.0922; found 233.0921.
Datasets