Ethyl 1-benzyl-4-oxo-3-piperidinecarboxylate hydrochloride(1454-53-1) MS

Product NameEthyl 1-benzyl-4-oxo-3-piperidinecarboxylate hydrochloride

CAS 1454-53-1

Molecular FormulaC15H20ClNO3

Molecular Weight297.78

InChIInChI=1S/C15H19NO3.ClH/c1-2-19-15(18)13-11-16(9-8-14(13)17)10-12-6-4-3-5-7-12;/h3-7,13H,2,8-11H2,1H3;1H

InChIKey YPFMNHZRNXPYBG-UHFFFAOYSA-N

SmilesN1(CCC(=O)C(C(=O)OCC)C1)CC1C=CC=CC=1.Cl

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Mass

MS-KW-0826          
(3E)-1-benzyl-3-(ethoxy(hydroxy)methylene)piperidin-4-one hydrochloride hydrate
C15H19NO3 HCl H2O   (Mass of molecular ion:    261)

   Source Temperature: 130 °C
   Sample Temperature: 100 °C
   Direct, 75 eV

      18.0       2.9
      27.0       2.8
      28.0       2.2
      29.0       2.8
      35.0       1.8
      36.0      20.9
      38.0       6.8
      39.0       2.4
      41.0       2.5
      42.0       5.0
      43.0       1.4
      51.0       1.3
      54.0       1.3
      55.0       5.1
      56.0       1.6
      63.0       1.0
      65.0       8.7
      68.0       1.1
      69.0       2.0
      70.0       1.9
      77.0       1.0
      82.0       1.0
      84.0       1.2
      89.0       1.6
      90.0       1.3
      91.0     100.0
      92.0      14.0
      96.0       3.4
      97.0       1.8
      98.0       2.3
      99.0       1.0
     104.0       1.5
     114.0       1.6
     118.0       2.8
     120.0       4.0
     124.0      18.4
     125.0       1.3
     128.0       1.3
     132.0       2.0
     133.0       2.8
     138.0       2.6
     142.0       1.2
     146.0       1.4
     170.0       6.6
     184.0       1.7
     187.0       1.1
     188.0      32.0
     189.0       4.6
     214.0      50.2
     215.0       8.3
     216.0       7.5
     217.0       1.1
     232.0       7.6
     233.0       1.2
     260.0       5.9
     261.0      17.9
     262.0       3.1

in DMSO-d6