Dataset

tert-Butylacrylamide; LC-ESI-QFT; MS2; CE: 180%; R=15000; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ01107109 contains the MS2 mass spectrum of tert-Butylacrylamide with the InChIkey XFHJDMUEHUHAJW-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C7H13NO/c1-5-6(9)8-7(2,3)4/h5H,1H2,2-4H3,(H,8,9)
SMILES CC(C)(C)NC(=O)C=C
InChI Key XFHJDMUEHUHAJW-UHFFFAOYSA-N
Molecular Formula C7H13NO
Exact Mass 127.100 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-EQ01107109
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Maintainer
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MetadataPublished 2024-06-14
Related Molecule
  • N-tert-butylprop-2-enamide
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL3184503 chembl
    26705 surechembl
    7877 pubchem
    XJ13FSH48K fdasrs
    CEDXUE CCDC
    Molport-001-792-306 molport
    The data in this table is sourced from UniChem at EBI.