Glycine anhydride(106-57-0) MS
Product NameGlycine anhydride
CAS106-57-0
Molecular FormulaC4H6N2O2
Molecular Weight114.1
InChIInChI=1S/C4H6N2O2/c7-3-1-5-4(8)2-6-3/h1-2H2,(H,5,8)(H,6,7)
InChIKey BXRNXXXXHLBUKK-UHFFFAOYSA-N
SmilesN1CC(=O)NCC1=O
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MassMS-NW-4997 2,5-piperazinedione C4H6N2O2 (Mass of molecular ion: 114)
Source Temperature: 200 °C Sample Temperature: 150 °C Direct, 75 eV
14.0 1.5 15.0 1.4 18.0 3.5 27.0 4.9 28.0 19.5 29.0 12.2 30.0 100.0 31.0 2.7 40.0 1.1 41.0 2.4 42.0 11.2 43.0 10.2 44.0 2.5 56.0 2.7 57.0 1.2 58.0 1.9 59.0 1.2 71.0 18.1 86.0 2.7 104.0 1.3 114.0 27.7 115.0 1.5 132.0 1.0
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C4 H6 N2 O2 0.038 g : 0.5 ml DMSO-d6 2,5-piperazinedione 
Assign. Shift(ppm)
A 8.00 B 3.346
Hz ppm Int.3199.71 8.007 37 1337.16 3.346 1000
in DMSO-d6
KBr disc
nujol mull
