Malononitrile(109-77-3) MS
Product NameMalononitrile
CAS109-77-3
Molecular FormulaC3H2N2
Molecular Weight66.06
InChIInChI=1S/C3H2N2/c4-2-1-3-5/h1H2
InChIKey CUONGYYJJVDODC-UHFFFAOYSA-N
SmilesC(#N)CC#N
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MassMS2019-05739CM malononitrile C3H2N2 (Mass of molecular ion: 66)
Source Temperature: 245 °C Sample Temperature: 20 °C Direct, 70 eV
12.0 1.5 18.0 1.2 24.0 1.0 25.0 1.5 26.0 3.4 27.0 2.1 28.0 10.3 38.0 28.5 39.0 27.0 40.0 6.6 50.0 1.9 51.0 1.9 64.0 7.0 65.0 11.1 66.0 100.0 67.0 5.3
parameter in CDCl3
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1H NMR 300 MHz C3 H2 N2 0.042 g : 0.5 ml CDCl3 malononitrile 
Parameter ppm Hz
D(A) 3.604
Hz ppm Int.1081.20 3.604 1000
in CDCl3
Liquid film
