51887-89-9

3-Chloro-L-alanine hydrochloride(51887-89-9) IR1

Product Name3-Chloro-L-alanine hydrochloride

CAS 51887-89-9

Molecular FormulaC3H7Cl2NO2

Molecular Weight160

InChIInChI=1/C3H6ClNO2.ClH/c4-1-2(5)3(6)7;/h2H,1,5H2,(H,6,7);1H/t2-;/s3

InChIKey IENJPSDBNBGIEL-NNUCSGGJNA-N

SmilesC(O)(=O)[C@H](CCl)N.[H]Cl |&1:3,r|

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3-Chloro-L-alanine hydrochloride(51887-89-9) IR1
Mass

MS-KW-0817          
3-chloro-L-alanine hydrochloride 
C3H6ClNO2 HCl       (Mass of molecular ion:    123)

   Source Temperature: 180 °C
   Sample Temperature: 160 °C
   Direct, 75 eV

      14.0       1.0
      15.0       9.6
      17.0       1.5
      18.0       4.6
      26.0       1.5
      27.0       3.1
      28.0      21.9
      29.0       3.2
      30.0       1.3
      35.0       6.2
      36.0      63.8
      37.0       2.3
      38.0      21.8
      39.0       1.6
      40.0       4.2
      41.0      15.4
      42.0      55.4
      43.0      17.2
      44.0       8.7
      45.0       4.8
      46.0       2.2
      49.0       2.2
      68.0       1.0
      69.0       4.7
      70.0       1.2
      74.0      32.9
      75.0       1.1
      76.0       1.8
      78.0     100.0
      79.0       2.9
      80.0      31.7
      81.0       1.0
      87.0       1.2

in DMSO-d6