Isobutyric acid
Isobutyric acid Structure
Systematic / IUPAC Name: 2-Methylpropanoic acid
ID: Reference2753
Other Names:
α-Isobutyric acid;
ALQ;
i-Butyrate;
i-Butyric acid;
ISB
; more
Formula: C4H8O2
Class: Extractables/Leachables Excipients/Additives/Colorants Industrial Chemicals Endogenous Metabolites Pesticides/Herbicides
Spectral Data
Isobutyric 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 | Q Exactive Orbitrap |
| No. of Spectral Trees | 2 |
| No. of Spectra | 220 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | ESI |
| Analyzers | FT |
| Last Modification | 6/2/2015 2:15:29 PM |
Identificators
| InChI | InChI=1S/C4H8O2/c1-3(2)4(5)6/h3H,1-2H3,(H,5,6) |
| InChI Key | KQNPFQTWMSNSAP-UHFFFAOYSA-N |
| Canonical SMILES | CC(C)C(=O)O |
| CAS | 79312 |
| Splash | |
| Other Names |
α-Isobutyric acid; ALQ; i-Butyrate; i-Butyric acid; ISB; Isobutanoic acid; Tenox EBP 2; Tenox IBP-2; α-Methylpropanoic acid; α-Methylpropionic acid; 2,2-Dimethylacetic acid; 2-Methyl-propanoic acid; 2-Methylpropionic acid; 2-Propanecarboxylic acid; Acetic acid, dimethyl-; a-Methylpropanoic acid; a-Methylpropionic acid; Dimethylacetic acid; Isopropylformic acid; Methylpropanoic acid, 2-; Propanoic acid, 2-methyl-; Propionic acid, 2-methyl- |