Dataset

1,4-Diazabicyclo[2.2.2]octane; LC-ESI-QFT; MS2; CE: 150%; R=15000; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ00429408 contains the MS2 mass spectrum of 1,4-Diazabicyclo[2.2.2]octane with the InChIkey IMNIMPAHZVJRPE-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C6H12N2/c1-2-8-5-3-7(1)4-6-8/h1-6H2
SMILES C1CN2CCN1CC2
InChI Key IMNIMPAHZVJRPE-UHFFFAOYSA-N
Molecular Formula C6H12N2
Exact Mass 112.100 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ00429408
Version
Author
Maintainer
Language
MetadataPublished 2024-06-14
Related Molecule
  • 1,4-diazabicyclo[2.2.2]octane
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:151129 chebi
    CHEMBL3183414 chembl
    1042294 surechembl
    14938 surechembl
    9237 pubchem
    X8M57R0JS5 fdasrs
    2577 gtopdb
    PD050570 probes_and_drugs
    TETDAM CCDC
    108867 brenda
    HMDB0244208 hmdb
    Molport-000-006-539 molport
    The data in this table is sourced from UniChem at EBI.