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Guanidineacetic acid
SpectraBase Compound ID 86ilau3QGCA
InChI InChI=1S/C3H7N3O2/c4-3(5)6-1-2(7)8/h1H2,(H,7,8)(H4,4,5,6)
InChIKey BPMFZUMJYQTVII-UHFFFAOYSA-N
Mol Weight 117.11 g/mol
Molecular Formula C3H7N3O2
Exact Mass 117.053826 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8NbNtB419Dn
Name glycocyamine, 3TMS
Comments Non-derivatized structure shown; Derivatization type: 3 TMS (mass: 333.172); CC-BY: Oliver Fiehn, University of California, Davis; MoNA-ID: FiehnLib000875; Note: The molecular formula of the structure shown is C3H7N3O2 - which differs from the formula reported for the mass spectrum (C12H31N3O2Si3)
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Formula C12H31N3O2Si3
InChI InChI=1S/C3H7N3O2/c4-3(5)6-1-2(7)8/h1H2,(H,7,8)(H4,4,5,6)
InChIKey BPMFZUMJYQTVII-UHFFFAOYSA-N
Molecular Weight 117.108 g/mol
SMILES OC(CNC(=N)N)=O
SPLASH splash10-00di-0900000000-b200e9707366869e64b6
Source of Spectrum FM-2019-875-0
Synonyms guanidinoacetic acid, 3TMS N-amidinoglycine, 3TMS guanidinoacetate'Betacyamine, 3TMS Betasyamine, 3TMS 2-(diaminomethylideneamino)acetic acid, 3TMS Carbamimidoylglycine
Wiley ID 1818544