Dataset

electrospray ionisation time-of-flight mass spectrometry (ESI TOF MS)

dataset for electrospray ionisation time-of-flight mass spectrometry (ESI TOF MS)

Chemical Information

molecular Image
InChI InChI=1S/C12H17N3O2/c1-14(2)11-7-5-10(6-8-11)9-13-17-12(16)15(3)4/h5-9H,1-4H3/b13-9+
SMILES CN(C(=O)O/N=C/c1ccc(cc1)N(C)C)C
InChI Key IMIYGBBGUPOTQD-UKTHLTGXSA-N
Exact Mass 235.282 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/IMIYGBBGUPOTQD-UKTHLTGXSA-N/CHMO0000736
License URL
Source https://www.chemotion-repository.net/inchikey/IMIYGBBGUPOTQD-UKTHLTGXSA-N/CHMO0000736
Version
Author Robert Göstl
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-11-03
Related Molecule
  • [(E)-[4-(dimethylamino)phenyl]methylideneamino] N,N-dimethylcarbamate
    • Field Value
    Measurement Technique CHMO:0000736
    Measurement Variables
    Data-Source Molecule ID Data-Source
    56266044 PubChem: Thomson Pharma
    24967903 PubChem
    J438.182C Nikkaji
    The data in this table is sourced from UniChem at EBI.