DL-α-Aminocaprylic acid

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Systematic / IUPAC Name: 2-Aminooctanoic acid

ID: Reference1794

Other Names: DL-2-Aminocaprylic acid;
Octanoic acid, 2-amino-;
DL-2-Aminooctanoic acid;
2-Amino-DL-caprylic acid;
2-Aminocaprylic acid ; more

Formula: C8H17NO2

Class: Endogenous Metabolites

Spectral Data

DL-α-Aminocaprylic acid mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 2
No. of Spectra 95
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 12/22/2014 3:10:54 PM
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Identificators

InChI InChI=1S/C8H17NO2/c1-2-3-4-5-6-7(9)8(10)11/h7H,2-6,9H2,1H3,(H,10,11)
InChI Key AKVBCGQVQXPRLD-UHFFFAOYSA-N
Canonical SMILES CCCCCCC(C(=O)O)N
CAS 644906
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Other Names DL-2-Aminocaprylic acid;
Octanoic acid, 2-amino-;
DL-2-Aminooctanoic acid;
2-Amino-DL-caprylic acid;
2-Aminocaprylic acid;
DL-α-Amino-n-caprylic acid;
α-Aminocaprylic acid;
Caprylic acid, α-amino-;
α-Aminooctanoic acid;
2-Amino-DL-octanoic acid;
D,L-2-Aminooctanoic acid;
DL-2-Amino-n-caprylic acid;
DL-2-Amino-n-octanoic acid

In Other Databases

HMDb HMDB00991
PubChem 69522
ChemIDPlus 000644906
ChEBI CHEBI:75145
ChemSpider 62727