Dataset
high-resolution electrospray ionisation time-of-flight mass spectrometry (HR-ESI-TOF-MS)
Chemical Info
InChI | InChI=1S/C11H13N3/c1-14(2)10-6-7-13-11-8(10)4-3-5-9(11)12/h3-7H,12H2,1-2H3 |
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SMILES | CN(c1ccnc2c1cccc2N)C |
InChI Key | MCYXBNUZMIJOFB-UHFFFAOYSA-N |
Molecular Formula | C11H13N3 |
Exact Mass | 187.241 g/mol |
Data and Resources
Metadata Information
Field | Value |
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DOI | 10.14272/MCYXBNUZMIJOFB-UHFFFAOYSA-N/CHMO0002541 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/MCYXBNUZMIJOFB-UHFFFAOYSA-N/CHMO0002541 |
Version | |
Author | Alexander Hoffmann |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-07T06:15:17.439117 |
MetadataModified | 2024-09-07T21:55:12.166221 |
MetadataPublished | 2022-02-18 |
Field | Value |
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Measurement Technique | high-resolution electrospray ionisation time-of-flight mass spectrometry |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
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83059958 | PubChem |
The data in this table is sourced from UniChem at EBI. |