2-Aminoperimidine Hydrobromide(40835-96-9) MS
Product Name2-Aminoperimidine Hydrobromide
CAS40835-96-9
Molecular FormulaC11H10BrN3
Molecular Weight264.12
InChIInChI=1S/C11H9N3.BrH/c12-11-13-8-5-1-3-7-4-2-6-9(14-11)10(7)8;/h1-6H,(H3,12,13,14);1H
InChIKey HFZUTZWRTHBWPV-UHFFFAOYSA-N
SmilesC12C3C=CC=C1N=C(N)NC=2C=CC=3.Br
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MassMS-NW-1930 2-aminoperimidine hydrobromide C11H9N3 HBr (Mass of molecular ion: 183)
Source Temperature: 220 °C Sample Temperature: 230 °C Direct, 75 eV
28.0 1.4 39.0 1.9 43.0 1.1 50.0 1.7 51.0 1.8 62.0 2.1 63.0 3.8 64.0 1.8 74.0 1.4 75.0 2.1 76.0 1.5 77.0 2.5 77.5 1.0 78.0 2.2 79.0 3.6 80.0 9.2 81.0 3.5 82.0 9.1 86.0 1.3 87.0 1.8 88.0 2.9 89.0 1.0 91.5 9.6 92.0 1.3 100.0 1.0 101.0 2.6 102.0 1.5 103.0 1.3 112.0 1.0 113.0 4.0 114.0 3.1 115.0 1.8 126.0 1.8 127.0 2.7 128.0 3.6 130.0 1.1 138.0 1.5 139.0 15.6 140.0 6.1 155.0 15.3 156.0 1.8 165.0 7.3 166.0 49.8 167.0 6.4 182.0 12.4 183.0 100.0 184.0 13.2
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C11 H9 N3 0.038 g : 0.5 ml DMSO-d6 2-aminoperimidine hydrobromide 
Assign. Shift(ppm)
A *1 11.5 B *1 7.9 C 7.35 D 6.813
Hz ppm Int.3175.19 7.945 191 2949.90 7.382 31 2945.87 7.372 67 2941.47 7.361 1000 2937.44 7.351 879 2936.71 7.349 817 2932.68 7.339 53 2930.85 7.334 24 2928.28 7.328 44 2731.93 6.836 55 2727.17 6.824 353 2722.95 6.814 562 2718.74 6.803 336 2713.98 6.791 46
KBr disc
