Dataset

high-resolution electrospray ionisation time-of-flight mass spectrometry (HR-ESI-TOF-MS)

dataset for high-resolution electrospray ionisation time-of-flight mass spectrometry (HR-ESI-TOF-MS)

Chemical Information

molecular Image
InChI InChI=1S/C11H11N3O2/c1-13(2)9-6-7-12-11-8(9)4-3-5-10(11)14(15)16/h3-7H,1-2H3
SMILES CN(c1ccnc2c1cccc2[N+](=O)[O-])C
InChI Key XTTRESRELVZMEH-UHFFFAOYSA-N
Molecular Formula C11H11N3O2
Exact Mass 217.224 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/XTTRESRELVZMEH-UHFFFAOYSA-N/CHMO0002541
License URL
Source https://www.chemotion-repository.net/inchikey/XTTRESRELVZMEH-UHFFFAOYSA-N/CHMO0002541
Version
Author Alexander Hoffmann
Maintainer Chemotion Repository
Language english
MetadataPublished 2022-02-18
Related Molecule
  • N,N-dimethyl-8-nitroquinolin-4-amine
    • Field Value
    Measurement Technique high-resolution electrospray ionisation time-of-flight mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    162624767 PubChem
    The data in this table is sourced from UniChem at EBI.