GLYCYLGLYCINE HYDROCHLORIDE(13059-60-4) MS
Product NameGLYCYLGLYCINE HYDROCHLORIDE
CAS13059-60-4
Molecular FormulaC4H9ClN2O3
Molecular Weight168.58
InChIInChI=1S/C4H8N2O3.ClH/c5-1-3(7)6-2-4(8)9;/h1-2,5H2,(H,6,7)(H,8,9);1H
InChIKey YHBAZQDEMYQPJL-UHFFFAOYSA-N
SmilesC(=O)(CN)NCC(=O)O.Cl
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MassMS2003-02096WA glycylglycine hydrochloride C4H8N2O3 HCl H2O (Mass of molecular ion: 132)
Source Temperature: 250 °C Sample Temperature: 145 °C Direct, 70 eV comment: Pattern varies. Initial pattern is recorded.
17.0 1.2 18.0 5.0 27.0 1.4 28.0 15.9 29.0 6.5 30.0 100.0 31.0 2.6 35.0 4.1 36.0 22.1 37.0 1.4 38.0 7.5 42.0 6.8 43.0 4.8 44.0 2.0 45.0 2.3 56.0 5.0 57.0 1.3 58.0 1.4 59.0 1.3 71.0 13.2 74.0 1.6 85.0 1.1 86.0 2.5 87.0 1.1 89.0 2.1 104.0 5.2 114.0 27.5 115.0 1.5 132.0 3.0
90 MHz in D2O
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1H NMR 89.56 MHz C4 H8 N2 O3 0.042 g : 0.5 ml D2O glycylglycine hydrochloride 
Assign. Shift(ppm)
B 4.062 C 3.905 THE SOLVENT SIGNAL REMOVED.
Hz ppm Int.363.84 4.063 744 349.83 3.907 1000
in D2O
KBr disc
nujol mull
