Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)

Chemical Information

molecular Image
InChI InChI=1S/C11H22O/c1-3-5-7-11-9-8-10(12-11)6-4-2/h10-11H,3-9H2,1-2H3
SMILES CCCCC1CCC(O1)CCC
InChI Key HHBHOHLCRVRGMG-UHFFFAOYSA-N
Molecular Formula C11H22O
Exact Mass 170.292 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/HHBHOHLCRVRGMG-UHFFFAOYSA-N/CHMO0000470
License URL
Source https://www.chemotion-repository.net/inchikey/HHBHOHLCRVRGMG-UHFFFAOYSA-N/CHMO0000470
Version
Author Vanessa Koch
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-05-21
Related Molecule
  • 2-butyl-5-propyloxolane
    • Field Value
    Measurement Technique mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    153797676 PubChem
    The data in this table is sourced from UniChem at EBI.