N-Methyliminodiacetic acid(4408-64-4) MS
Product NameN-Methyliminodiacetic acid
CAS4408-64-4
Molecular FormulaC5H9NO4
Molecular Weight147.13
InChIInChI=1S/C5H9NO4/c1-6(2-4(7)8)3-5(9)10/h2-3H2,1H3,(H,7,8)(H,9,10)
InChIKey XWSGEVNYFYKXCP-UHFFFAOYSA-N
SmilesC(O)(=O)CN(CC(O)=O)C
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MassMS-IW-6431 methyliminodiacetic acid C5H9NO4 (Mass of molecular ion: 147)
Source Temperature: 160 °C Sample Temperature: 180 °C Direct, 75 eV
14.0 1.7 15.0 5.9 17.0 1.5 18.0 7.1 26.0 1.3 27.0 4.4 28.0 19.6 29.0 2.9 30.0 2.4 31.0 3.1 39.0 1.2 40.0 3.8 41.0 8.1 42.0 39.7 43.0 6.2 44.0 51.5 45.0 3.4 56.0 1.5 57.0 11.7 58.0 10.3 59.0 1.2 60.0 2.3 73.0 1.3 74.0 30.1 75.0 1.1 86.0 1.2 88.0 3.2 101.0 2.5 102.0 100.0 103.0 5.1 129.0 1.1 147.0 10.3
400 MHz in D2O
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1H NMR 399.65 MHz C5 H9 N O4 0.038 g : 0.5 ml D2O methyliminodiacetic acid 
Assign. Shift(ppm)
A 4.009 B 3.023 SOLVENT PEAK REMOVED
Hz ppm Int.1602.42 4.010 730 1208.25 3.024 1000
KBr disc
nujol mull
