Dataset

electron ionisation mass spectrometry (EI-MS)

dataset for electron ionisation mass spectrometry (EI-MS)

Chemical Information

molecular Image
InChI InChI=1S/C11H10N2/c1-9-8-11(4-7-13-9)10-2-5-12-6-3-10/h2-8H,1H3
SMILES Cc1nccc(c1)c1ccncc1
InChI Key YQBPLVKHEZNFMQ-UHFFFAOYSA-N
Exact Mass 170.211 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/YQBPLVKHEZNFMQ-UHFFFAOYSA-N/CHMO0000480.1
License URL
Source https://www.chemotion-repository.net/inchikey/YQBPLVKHEZNFMQ-UHFFFAOYSA-N/CHMO0000480.1
Version
Author Hannes Kühner
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-03-17
Related Molecule
  • 2-methyl-4-pyridin-4-ylpyridine
    • Field Value
    Measurement Technique electron ionisation mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    15554883 PubChem
    J2.406.070E Nikkaji
    DTXSID80574032 EPA CompTox Dashboard
    SCHEMBL8964255 SureChEMBL
    The data in this table is sourced from UniChem at EBI.