Dimethylmalonic acid
14008
Reference
Dimethylmalonic acid Structure
Systematic / IUPAC Name: 2,2-Dimethylpropanedioic acid
ID: Reference14008
Other Names: AA-2685
Formula: C5H8O4
Class: Endogenous Metabolites
Spectral Data
Dimethylmalonic acid 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 | 90 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 8/7/2026 9:33:21 AM |
Identificators
| InChI | InChI=1S/C5H8O4/c1-5(2,3(6)7)4(8)9/h1-2H3,(H,6,7)(H,8,9) |
| InChI Key | OREAFAJWWJHCOT-UHFFFAOYSA-N |
| Canonical SMILES | CC(C)(C(=O)O)C(=O)O |
| CAS | |
| Splash | |
| Other Names | AA-2685 |
In Other Databases
| HMDb | HMDB02001 |
| ChEMBL | CHEMBL3360549 |
| ChemSpider | 11195 |
| ChEBI | CHEBI:111517 |
| PubChem | 11686; 11686 |