CMPF

enlarge

Systematic / IUPAC Name: 2-(2-Carboxyethyl)-4-methyl-5-propyl-3-furoic acid

ID: Reference6677

Other Names: 2-(2-Carboxyethyl)-4-methyl-5-propylfuran-3-carboxylic acid;
2-Furanpropanoic acid, 3-carboxy-4-methyl-5-propyl-;
3-Carboxy-4-methyl-5-propyl-2-furanpropanoic acid;
3-Carboxy-4-methyl-5-propyl-2-furanpropionate;
3-Carboxy-4-methyl-5-propyl-2-furanpropionic acid

Formula: C12H16O5

Spectral Data

CMPF mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP
No. of Spectral Trees 1
No. of Spectra 680
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers FT
Last Modification 8/4/2017 9:11:18 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C12H16O5/c1-3-4-8-7(2)11(12(15)16)9(17-8)5-6-10(13)14/h3-6H2,1-2H3,(H,13,14)(H,15,16)
InChI Key WMCQWXZMVIETAO-UHFFFAOYSA-N
Canonical SMILES CCCC1=C(C(=C(O1)CCC(=O)O)C(=O)O)C
CAS 86879392
Splash
Other Names 2-(2-Carboxyethyl)-4-methyl-5-propylfuran-3-carboxylic acid;
2-Furanpropanoic acid, 3-carboxy-4-methyl-5-propyl-;
3-Carboxy-4-methyl-5-propyl-2-furanpropanoic acid;
3-Carboxy-4-methyl-5-propyl-2-furanpropionate;
3-Carboxy-4-methyl-5-propyl-2-furanpropionic acid

In Other Databases

HMDb HMDB61112
ChEBI CHEBI:41254
DrugBank DB07517
PubChem 123979
ChemSpider 110498
ChEMBL CHEMBL1231562
ChemIDPlus 086879392