Dataset

high-resolution mass spectrometry (HRMS)

dataset for high-resolution mass spectrometry (HRMS)

Chemical Information

molecular Image
InChI InChI=1S/C9H20N2O2/c1-9(2,3)13-8(12)11-7-5-4-6-10/h4-7,10H2,1-3H3,(H,11,12)
SMILES NCCCCNC(=O)OC(C)(C)C
InChI Key ZFQWJXFJJZUVPI-UHFFFAOYSA-N
Molecular Formula C9H20N2O2
Exact Mass 188.267 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/ZFQWJXFJJZUVPI-UHFFFAOYSA-N/CHMO0000498
License URL
Source https://www.chemotion-repository.net/inchikey/ZFQWJXFJJZUVPI-UHFFFAOYSA-N/CHMO0000498
Version
Author Michael Mertens
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-12-03
Related Molecule
  • tert-butyl N-(4-aminobutyl)carbamate
    • Field Value
    Measurement Technique high-resolution mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL3356838 chembl
    181700 surechembl
    4351 pubchem
    PD127402 probes_and_drugs
    Molport-000-001-779 molport
    The data in this table is sourced from UniChem at EBI.