Dataset

high-resolution mass spectrometry (HRMS)

dataset for high-resolution mass spectrometry (HRMS)

Chemical Information

molecular Image
InChI InChI=1S/C12H10N2/c1-14-8-2-3-12(14)11-6-4-10(9-13)5-7-11/h2-8H,1H3
SMILES N#Cc1ccc(cc1)c1cccn1C
InChI Key XQULKEFRCLIVTR-UHFFFAOYSA-N
Molecular Formula C12H10N2
Exact Mass 182.221 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/XQULKEFRCLIVTR-UHFFFAOYSA-N/CHMO0000498
License URL
Source https://www.chemotion-repository.net/inchikey/XQULKEFRCLIVTR-UHFFFAOYSA-N/CHMO0000498
Version
Author Robert Wolf
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-05-14
Related Molecule
  • 4-(1-methylpyrrol-2-yl)benzonitrile
    • Field Value
    Measurement Technique high-resolution mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    J2.220.495E Nikkaji
    85289727 PubChem: Thomson Pharma
    44254996 PubChem
    The data in this table is sourced from UniChem at EBI.