Dataset

1-METHYL-4-ISOPROPENYLCYCLOHEXENE; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP002318 contains the MS mass spectrum of 1-METHYL-4-ISOPROPENYLCYCLOHEXENE with the InChIkey XMGQYMWWDOXHJM-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3
SMILES CC(=C)C(C1)CC([H])=C(C)C1
InChI Key XMGQYMWWDOXHJM-UHFFFAOYSA-N
Molecular Formula C10H16
Exact Mass 136.125 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fac_Eng_Univ_Tokyo-JP002318
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • 1-methyl-4-prop-1-en-2-ylcyclohexene
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB19146 drugbank
    CHEBI:15384 chebi
    CHEMBL15799 chembl
    797520 surechembl
    8829 surechembl
    22311 pubchem
    9MC3I34447 fdasrs
    PD001977 probes_and_drugs
    AHEXES CCDC
    9366 brenda
    HMDB0032473 hmdb
    Molport-001-782-985 molport
    The data in this table is sourced from UniChem at EBI.