Dataset

tert-Butylacrylamide

This MassBank record with Accession MSBNK-Eawag-EQ01107108 contains the MS2 mass spectrum of tert-Butylacrylamide with the InChIkey XFHJDMUEHUHAJW-UHFFFAOYSA-N.

Chemical Info

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-EQ01107108
Version
Author
Maintainer
Language
MetadataCreated 2025-02-09T09:28:46.567460
MetadataModified 2025-02-09T09:28:46.773464
MetadataPublished 2024-06-14
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CB9194805 ChemicalBook
MCULE-9204329789 Mcule
SCHEMBL26705 SureChEMBL
30096613 NMRShiftDB
XJ13FSH48K FDA SRS
7877 PubChem
15146583 PubChem: Thomson Pharma
107-58-4 ACToR
505820 eMolecules
ZINC000001680818 ZINC
CHEMBL3184503 ChEMBL
CEDXUE CCDC
J66.956C Nikkaji
DTXSID1040114 EPA CompTox Dashboard
The data in this table is sourced from UniChem at EBI.