N,N-Dimethyl-β-alanine

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Systematic / IUPAC Name: 3-(Dimethylamino)propanoic acid

ID: Reference13854

Other Names: AA-4135

Formula: C5H11NO2

Class: Endogenous Metabolites

Spectral Data

N,N-Dimethyl-β-alanine 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 1
No. of Spectra 220
Tandem Spectra MS1, MS2
Ionization Methods NSI
Analyzers FT
Last Modification 4/1/2026 10:04:08 AM
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Identificators

InChI InChI=1S/C5H11NO2/c1-6(2)4-3-5(7)8/h3-4H2,1-2H3,(H,7,8)
InChI Key JMOXSQYGVIXBBZ-UHFFFAOYSA-N
Canonical SMILES CN(C)CCC(=O)O
CAS
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Other Names AA-4135

In Other Databases

ChEBI CHEBI:138668
ChemSpider 209512
PubChem 25201408