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

Formula: C10H13NO4


Canonical SMILES:
[O-][N+](=O)c1cccc(c1C)OCCOC
InChI:
InChI=1S/C10H13NO4/c1-8-9(11(12)13)4-3-5-10(8)15-7-6-14-2/h3-5H,6-7H2,1-2H3
InChIKey:
HSCLQTQXXWDUNC-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, 50 °C), m/z (%): 211 (39) [M]+, 194 (31) [M - H2O + H]+, 181 (13), 131 (15), 77 (12), 69 (29), 59 (100) [methoxy ethyl]+. HRMS–EI (C10H13O4N) (m/z): [M]+ calcd 211.0839; found 211.0838.
Datasets