Monomethyl adipate

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Systematic / IUPAC Name: 6-Methoxy-6-oxohexanoic acid

ID: Reference13976

Other Names: AA-4810

Formula: C7H12O4

Class: Endogenous Metabolites

Spectral Data

Monomethyl adipate 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 Orbitrap ID-X with ETD_Cal Gateshead
No. of Spectral Trees 2
No. of Spectra 849
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 7/7/2026 8:47:56 AM
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Identificators

InChI InChI=1S/C7H12O4/c1-11-7(10)5-3-2-4-6(8)9/h2-5H2,1H3,(H,8,9)
InChI Key UOBSVARXACCLLH-UHFFFAOYSA-N
Canonical SMILES COC(=O)CCCCC(=O)O
CAS
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Other Names AA-4810

In Other Databases

HMDb HMDB0059722
ChEMBL CHEMBL3183809
PubChem 12328; 12328
ChEBI CHEBI:70855
ChemSpider 11823