2,5-Dimethylfuran
13889
Reference
2,5-Dimethylfuran Structure
Systematic / IUPAC Name: 2,5-Dimethylfuran
ID: Reference13889
Other Names: AA-4705
Formula: C6H8O
Class: Endogenous Metabolites
Spectral Data
2,5-Dimethylfuran mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Available MS Data
| Used Instruments | Orbitrap ID-X with ETD_Cal Gateshead |
| No. of Spectral Trees | 1 |
| No. of Spectra | 105 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 4/30/2026 8:15:38 AM |
Identificators
| InChI | InChI=1S/C6H8O/c1-5-3-4-6(2)7-5/h3-4H,1-2H3 |
| InChI Key | GSNUFIFRDBKVIE-UHFFFAOYSA-N |
| Canonical SMILES | Cc1ccc(C)o1 |
| CAS | |
| Splash | |
| Other Names | AA-4705 |
In Other Databases
| HMDb | HMDB0033182; HMDB0033182; HMDB0033182 |
| PubChem | 12266; 12266 |
| ChEBI | CHEBI:89052 |
| Wikipedia | 2,5-Dimethylfuran |
| ChemSpider | 11763 |
| ChEMBL | CHEMBL1416448 |