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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 1c7NZqlLTjS
Name glycocyamine, 4TMS
Alternate Name(s) guanidinoacetic acid, 4TMS N-amidinoglycine, 4TMS guanidinoacetate'Betacyamine, 4TMS Betasyamine, 4TMS 2-(diaminomethylideneamino)acetic acid, 4TMS Carbamimidoylglycine
Comments Non-derivatized structure shown; Derivatization type: 4 TMS (mass: 405.212); CC-BY: Oliver Fiehn, University of California, Davis; MoNA-ID: FiehnLib000876; Note: The molecular formula of the structure shown is C3H7N3O2 - which differs from the formula reported for the mass spectrum (C15H39N3O2Si4)
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Formula C15H39N3O2Si4
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-0910000000-8220862fea109231e930
Source of Spectrum FM-2019-876-0
Wiley ID 1818545