Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)

Chemical Information

molecular Image
InChI InChI=1S/C11H16BrN/c1-7(2)10-5-9(12)6-11(13-10)8(3)4/h5-8H,1-4H3
SMILES Brc1cc(nc(c1)C(C)C)C(C)C
InChI Key KQBMPTUNDIHOQF-UHFFFAOYSA-N
Molecular Formula C11H16BrN
Exact Mass 242.155 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/KQBMPTUNDIHOQF-UHFFFAOYSA-N/CHMO0000470
License URL
Source https://www.chemotion-repository.net/inchikey/KQBMPTUNDIHOQF-UHFFFAOYSA-N/CHMO0000470
Version
Author Sylvia Vanderheiden-Schroen
Maintainer Chemotion Repository
Language english
MetadataPublished 2020-04-24
Related Molecule
  • 4-bromo-2,6-di(propan-2-yl)pyridine
    • Field Value
    Measurement Technique mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    129956803 PubChem
    The data in this table is sourced from UniChem at EBI.