hexanoic acid, 6-amino-, butanedioate (1:1)

ChemSpider ID: 2108048
Molecular Formula: C₁₀H₁₉NO₆
Average mass: 249.261002 Da
Monoisotopic mass: 249.121231 Da
Systematic name

5-Carboxy-1-pentanaminium 3-carboxypropanoate
SMILES and InChIs

SMILES:

[O-]C(=O)CCC(=O)O.O=C(O)CCCCC[NH3+] Copied

Std. InChI:

InChI=1S/C6H13NO2.C4H6O4/c7-5-3-1-2-4-6(8)9;5-3(6)1-2-4(7)8/h1-5,7H2,(H,8,9);1-2H2,(H,5,6)(H,7,8) Copied

Std. InChIKey:

WDIROTKHJSHIHA-UHFFFAOYSA-N Copied
Cite this record
CSID:2108048, http://www.chemspider.com/Chemical-Structure.2108048.html (accessed 14:10, May 24, 2013) Copied

Names and Identifiers

Predicted data is generated using the ACD/Labs’ ACD/PhysChem Suite, for more information see their website.

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