Dataset
electron ionisation mass spectrometry (EI-MS)
Chemical Info
InChI | InChI=1S/C13H21N3O/c1-10(2)16(11(3)4)15-14-12-6-8-13(17-5)9-7-12/h6-11H,1-5H3/b15-14+ |
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SMILES | COc1ccc(cc1)/N=N/N(C(C)C)C(C)C |
InChI Key | FDBVYQICXLAGQP-CCEZHUSRSA-N |
Molecular Formula | C13H21N3O |
Exact Mass | 235.325 g/mol |
Data and Resources
Metadata Information
Field | Value |
---|---|
DOI | 10.14272/FDBVYQICXLAGQP-CCEZHUSRSA-N/Mass/EI |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/FDBVYQICXLAGQP-CCEZHUSRSA-N/Mass/EI |
Version | |
Author | Andreas Hafner |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-06T22:38:47.509697 |
MetadataModified | 2024-09-07T12:00:15.854238 |
MetadataPublished | 2014-05-27 |
Field | Value |
---|---|
Measurement Technique | electron ionisation mass spectrometry |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
---|---|
SCHEMBL17375261 | SureChEMBL |
SCHEMBL18919354 | SureChEMBL |
The data in this table is sourced from UniChem at EBI. |