Hexamethyleneimine(111-49-9) MS
Product NameHexamethyleneimine
CAS111-49-9
Molecular FormulaC6H13N
Molecular Weight99.17
InChIInChI=1S/C6H13N/c1-2-4-6-7-5-3-1/h7H,1-6H2
InChIKey ZSIQJIWKELUFRJ-UHFFFAOYSA-N
SmilesN1CCCCCC1
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MassMS-NW-3128 hexamethyleneimine C6H13N (Mass of molecular ion: 99)
Source Temperature: 280 °C Sample Temperature: 180 °C Reservoir, 75 eV
15.0 3.4 18.0 2.5 26.0 1.7 27.0 13.3 28.0 21.3 29.0 9.3 30.0 70.8 31.0 1.2 38.0 1.4 39.0 15.4 40.0 3.2 41.0 30.7 42.0 29.2 43.0 78.8 44.0 41.0 45.0 2.0 51.0 1.1 53.0 2.7 54.0 2.9 55.0 11.8 56.0 66.9 57.0 52.6 58.0 2.6 67.0 2.2 68.0 6.6 69.0 4.2 70.0 100.0 71.0 9.0 81.0 1.2 82.0 1.7 84.0 13.8 96.0 1.1 97.0 1.4 98.0 26.4 99.0 64.7 100.0 4.7
90 MHz in CDCl3
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1H NMR 89.56 MHz C6 H13 N 0.05 ml : 0.5 ml CDCl3 hexamethyleneimine 
Assign. Shift(ppm)
A 2.84 B 1.68 C 1.61
Hz ppm Int.254.44 2.842 277 250.00 2.792 152 249.19 2.783 155 150.25 1.678 720 144.63 1.615 1000
in CDCl3
liquid film
