2-Aminoisobutyric Acid(62-57-7) MS
Product Name2-Aminoisobutyric Acid
CAS62-57-7
Molecular FormulaC4H9NO2
Molecular Weight103.12
InChIInChI=1S/C4H9NO2/c1-4(2,5)3(6)7/h5H2,1-2H3,(H,6,7)
InChIKey FUOOLUPWFVMBKG-UHFFFAOYSA-N
SmilesC(O)(=O)[C@](C)(C)N
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MassMS-NW-5033 2-methylalanine C4H9NO2 (Mass of molecular ion: 103)
Source Temperature: 190 °C Sample Temperature: 140 °C Direct, 75 eV
15.0 5.6 18.0 9.5 27.0 2.0 28.0 4.5 30.0 5.8 39.0 4.5 40.0 2.2 41.0 15.9 42.0 35.7 43.0 5.1 44.0 1.5 45.0 2.6 56.0 1.1 57.0 2.1 58.0 100.0 59.0 4.5 88.0 5.1
90 MHz in D2O
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1H NMR 89.56 MHz C4 H9 N O2 0.042 g : 0.5 ml D2O 2-methylalanine 
Assign. Shift(ppm)
B 1.498 THE SOLVENT SIGNAL REMOVED.
Hz ppm Int.134.19 1.499 1000
in D2O
KBr disc
nujol mull
4880 A,200 M,powder
