Dataset

high-resolution mass spectrometry (HRMS)

dataset for high-resolution mass spectrometry (HRMS)

Chemical Information

molecular Image
InChI InChI=1S/C12H10N2/c1-14-8-4-7-12(14)11-6-3-2-5-10(11)9-13/h2-8H,1H3
SMILES N#Cc1ccccc1c1cccn1C
InChI Key VWPDHILHTOUUPG-UHFFFAOYSA-N
Molecular Formula C12H10N2
Exact Mass 182.221 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/VWPDHILHTOUUPG-UHFFFAOYSA-N/CHMO0000498.1
License URL
Source https://www.chemotion-repository.net/inchikey/VWPDHILHTOUUPG-UHFFFAOYSA-N/CHMO0000498.1
Version
Author Robert Wolf
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-05-14
Related Molecule
  • 2-(1-methylpyrrol-2-yl)benzonitrile
    • Field Value
    Measurement Technique high-resolution mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    J2.803.497K Nikkaji
    44606283 PubChem
    87356013 PubChem: Thomson Pharma
    The data in this table is sourced from UniChem at EBI.