Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)

Chemical Information

molecular Image
InChI InChI=1S/C13H18N6/c1-4-5-6-12-9-19(17-15-12)13-11(7-14)8-18(16-13)10(2)3/h8-10H,4-6H2,1-3H3
SMILES CCCCc1nnn(c1)c1nn(cc1C#N)C(C)C
InChI Key NOJZURFWHMPYCF-UHFFFAOYSA-N
Molecular Formula C13H18N6
Exact Mass 258.322 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/NOJZURFWHMPYCF-UHFFFAOYSA-N/CHMO0000470
License URL
Source https://www.chemotion-repository.net/inchikey/NOJZURFWHMPYCF-UHFFFAOYSA-N/CHMO0000470
Version
Author Nicolai Wippert
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-02-14
Related Molecule
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    • Field Value
    Measurement Technique mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    No additional information available for this Dataset.