Dataset
![molecular Image]()
2,6-Xylidine
Chemical Info
| InChI | InChI=1S/C8H11N/c1-6-4-3-5-7(2)8(6)9/h3-5H,9H2,1-2H3 |
|---|---|
| SMILES | CC1=CC=CC(C)=C1N |
| InChI Key | UFFBMTHBGFGIHF-UHFFFAOYSA-N |
| Molecular Formula | C8H11N |
| Exact Mass | 121.089 g/mol |
Data and Resources
Metadata Information
| Field | Value |
|---|---|
| DOI | |
| License URL | https://creativecommons.org/licenses/by/4.0 |
| Source | https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-UFZ-UF414601 |
| Version | |
| Author | |
| Maintainer | |
| Language | |
| MetadataCreated | 2024-01-11T21:44:22.569032 |
| MetadataModified | 2025-02-09T19:48:59.116369 |
| MetadataPublished | 2017-01-05 |
| Related Molecule |
| Field | Value |
|---|---|
| Measurement Technique | liquid chromatography-mass spectrometry |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| PD065540 | ProbesDrugs |
| 4FT62OX08D | FDA SRS |
| 15119853 | PubChem: Thomson Pharma |
| SCHEMBL106244 | SureChEMBL |
| 87-62-7 | ACToR |
| 501674 | eMolecules |
| 6896 | PubChem |
| 10023590 | NMRShiftDB |
| MCULE-6337132025 | Mcule |
| 207265 | Brenda |
| HMDB0060677 | Human Metabolome Database |
| ZINC000000900692 | ZINC |
| MTBLC28738 | Metabolights |
| CB8327518 | ChemicalBook |
| C11004 | KEGG Ligand |
| CHEMBL1340793 | ChEMBL |
| 28738 | ChEBI |
| 233356 | Brenda |
| 233357 | Brenda |
| CVMAMA | CCDC |
| J43.456F | Nikkaji |
| DTXSID8026307 | EPA CompTox Dashboard |
| The data in this table is sourced from UniChem at EBI. | |