1-(Carboxymethyl)cyclohexanecarboxylic acid

enlarge

Systematic / IUPAC Name: 1-(Carboxymethyl)cyclohexane-1-carboxylic acid

ID: Reference3231

Other Names: Gabapentin related compound E;
1-Carboxycyclohexaneacetic acid;
Cyclohexaneacetic acid, 1-carboxy-

Formula: C9H14O4

Spectral Data

1-(Carboxymethyl)cyclohexanecarboxylic acid 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 Q Exactive Plus Orbitrap
No. of Spectral Trees 2
No. of Spectra 116
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 11/4/2015 12:40:34 PM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C9H14O4/c10-7(11)6-9(8(12)13)4-2-1-3-5-9/h1-6H2,(H,10,11)(H,12,13)
InChI Key SDAXMMUAZRUWNL-UHFFFAOYSA-N
Canonical SMILES C1CCC(CC1)(CC(=O)O)C(=O)O
CAS 67950952
Splash
Other Names Gabapentin related compound E;
1-Carboxycyclohexaneacetic acid;
Cyclohexaneacetic acid, 1-carboxy-

In Other Databases

PubChem 260003
ChEMBL CHEMBL1487140
ChemSpider 228197