Dataset

high-resolution mass spectrometry (HRMS)

dataset for high-resolution mass spectrometry (HRMS)

Chemical Information

molecular Image
InChI InChI=1S/C11H11N/c1-12-9-5-8-11(12)10-6-3-2-4-7-10/h2-9H,1H3
SMILES Cn1cccc1c1ccccc1
InChI Key RLAVWVJZAAVVPL-UHFFFAOYSA-N
Molecular Formula C11H11N
Exact Mass 157.212 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/RLAVWVJZAAVVPL-UHFFFAOYSA-N/CHMO0000498
License URL
Source https://www.chemotion-repository.net/inchikey/RLAVWVJZAAVVPL-UHFFFAOYSA-N/CHMO0000498
Version
Author Robert Wolf
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-05-14
Related Molecule
  • 1-methyl-2-phenylpyrrole
    • Field Value
    Measurement Technique high-resolution mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    ZINC000038887758 ZINC
    DTXSID90480372 EPA CompTox Dashboard
    J858.268H Nikkaji
    12204926 PubChem
    SCHEMBL6444709 SureChEMBL
    The data in this table is sourced from UniChem at EBI.