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3-(2,5-diketopiperazino)propionic acid
SpectraBase Compound ID HSPCrBthB2s
InChI InChI=1S/C7H10N2O4/c10-5-4-9(2-1-7(12)13)6(11)3-8-5/h1-4H2,(H,8,10)(H,12,13)
InChIKey RJRYJIAWAAICTQ-UHFFFAOYSA-N
Mol Weight 186.17 g/mol
Molecular Formula C7H10N2O4
Exact Mass 186.064057 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FZaeV7ibOPR
Name 3-(2,5-diketopiperazino)propionic acid
CAS Registry Number 106659-85-2
Comments Less than 3 mono-isotopic peaks
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Formula C7H10N2O4
InChI InChI=1S/C7H10N2O4/c10-5-4-9(2-1-7(12)13)6(11)3-8-5/h1-4H2,(H,8,10)(H,12,13)
InChIKey RJRYJIAWAAICTQ-UHFFFAOYSA-N
Molecular Weight 186.167 g/mol
SMILES N1CC(N(CCC(=O)O)CC1=O)=O
SPLASH splash10-00kr-0900000000-c48d3a89792dd1a52960
Source of Spectrum Y-23-231-4
Synonyms 3-(2,5-dioxo-1-piperazinyl)propanoic acid 3-(2,5-dioxopiperazin-1-yl)propanoic acid 3-[2,5-bis(oxidanylidene)piperazin-1-yl]propanoic acid
Wiley ID 1182301