AMINOACETONITRILE HYDROGEN SULFATE(151-63-3) MS
Product NameAMINOACETONITRILE HYDROGEN SULFATE
CAS151-63-3
Molecular FormulaC2H6N2O4S
Molecular Weight154.15
InChIInChI=1S/C2H4N2.H2O4S/c3-1-2-4;1-5(2,3)4/h1,3H2;(H2,1,2,3,4)
InChIKey GTGIXCPOLMWQTC-UHFFFAOYSA-N
SmilesS(O)(O)(=O)=O.C(N)C#N
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MassMS-NW-9142 aminoacetonitrile hydrogensulfate C2H4N2 H2O4S (Mass of molecular ion: 56)
Source Temperature: 190 °C Sample Temperature: 150 °C Direct, 75 eV
16.0 1.7 17.0 6.5 18.0 30.5 25.0 1.3 26.0 3.1 27.0 18.4 28.0 79.7 29.0 64.4 30.0 34.5 38.0 4.1 39.0 4.4 40.0 9.9 41.0 1.7 52.0 1.5 53.0 12.5 54.0 2.6 55.0 100.0 56.0 59.6 57.0 2.8
parameter in D2O
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1H NMR 300 MHz C2 H4 N2 0.040 g : 0.5 ml D2O aminoacetonitrile hydrogensulfate 
Parameter ppm Hz
D(A) 4.184
Hz ppm Int.1255.20 4.184 1000
in D2O
KBr disc
nujol mull
