Pivalic acid
13858
Reference
Pivalic acid Structure
Systematic / IUPAC Name: 2,2-Dimethylpropanoic acid
ID: Reference13858
Other Names:
Trimethylacetic acid;
AA-4184
Formula: C5H10O2
Class: Endogenous Metabolites
Spectral Data
Pivalic 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 | 30 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 4/7/2026 3:36:32 PM |
Identificators
| InChI | InChI=1S/C5H10O2/c1-5(2,3)4(6)7/h1-3H3,(H,6,7) |
| InChI Key | IUGYQRQAERSCNH-UHFFFAOYSA-N |
| Canonical SMILES | CC(C)(C)C(=O)O |
| CAS | |
| Splash | |
| Other Names |
Trimethylacetic acid; AA-4184 |
In Other Databases
| ChemSpider | 6177 |
| LipidsMAPs | LMFA01020073 |
| Wikipedia | Pivalic acid |
| ChEMBL | CHEMBL322719 |
| PubChem | 6417; 6417 |
| HMDb | HMDB0041992 |
| ChEBI | CHEBI:45133 |