3-Methylbutanenitrile (625-28-5) IR1
Product Name3-Methylbutanenitrile
CAS625-28-5
Molecular FormulaC5H9N
Molecular Weight83.13
InChIInChI=1S/C5H9N/c1-5(2)3-4-6/h5H,3H2,1-2H3
InChIKey QHDRKFYEGYYIIK-UHFFFAOYSA-N
SmilesC(#N)CC(C)C
-
MassMS-NW-2699 isovaleronitrile C5H9N (Mass of molecular ion: 83)
Source Temperature: 280 °C Sample Temperature: 180 °C Reservoir, 75 eV
15.0 1.6 26.0 1.3 27.0 16.0 28.0 1.3 29.0 2.6 37.0 1.4 38.0 2.3 39.0 11.9 40.0 3.1 41.0 50.4 42.0 3.7 43.0 100.0 44.0 3.4 52.0 1.6 54.0 2.4 55.0 4.7 66.0 1.3 67.0 1.7 68.0 6.9 82.0 1.5
in CDCl3
liquid film
4880 A,200 M,liquid
