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1-{[(N-Methyl)aminomethyl]imino}-1-cyano-2-amino-2-(aminocarbonyl)ethane
SpectraBase Compound ID JPGTKmQ340T
InChI InChI=1S/C6H9N5O/c1-10-3-11-4(2-7)5(8)6(9)12/h3H,8H2,1H3,(H2,9,12)(H,10,11)/b5-4-
InChIKey CYXHABIIBYUVAT-PLNGDYQASA-N
Mol Weight 167.17 g/mol
Molecular Formula C6H9N5O
Exact Mass 167.08071 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KgWIcVLsCEN
Name 1-{[(N-Methyl)aminomethyl]imino}-1-cyano-2-amino-2-(aminocarbonyl)ethane
Comments Less than 3 mono-isotopic peaks
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Formula C6H9N5O
InChI InChI=1S/C6H9N5O/c1-10-3-11-4(2-7)5(8)6(9)12/h3H,8H2,1H3,(H2,9,12)(H,10,11)/b5-4-
InChIKey CYXHABIIBYUVAT-PLNGDYQASA-N
Molecular Weight 167.172 g/mol
SMILES N(\C=N\C(=C/(C(=O)N)N)C#N)C
SPLASH splash10-00xr-0900000000-b4c428407f9fb886839b
Source of Spectrum Y-37-1042-16
Synonyms (Z)-2-Amino-3-cyano-3-[(N-methyl-formimidoyl)-amino]-acrylamide 1-{[(N-Methyl)aminomethyl]imino}-1-cyano-2-amino-2-(aminocarbonyl)ethene (Z)-2-amino-3-cyano-3-(methyliminomethylamino)-2-propenamide (Z)-2-amino-3-cyano-3-(methyliminomethylamino)prop-2-enamide (Z)-2-azanyl-3-cyano-3-(methyliminomethylamino)prop-2-enamide
Wiley ID 762883