6020-87-7

Creatine monohydrate(6020-87-7) ¹H NMR

Product NameCreatine monohydrate

CAS 6020-87-7

Molecular FormulaC4H11N3O3

Molecular Weight149.15

InChIInChI=1S/C4H9N3O2.H2O/c1-7(4(5)6)2-3(8)9;/h2H2,1H3,(H3,5,6)(H,8,9);1H2

InChIKey MEJYXFHCRXAUIL-UHFFFAOYSA-N

SmilesCN(CC(=O)O)C(=N)N.[H]O[H]

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Creatine monohydrate(6020-87-7) <sup>1</sup>H NMR
Mass

MS-NW-0289          
(1-methylguanidino)acetic acid
C4H9N3O2 H2O        (Mass of molecular ion:    131)

   Source Temperature: 210 °C
   Sample Temperature:   0 °C
   Direct, 75 eV

      14.0       2.1
      15.0      11.0
      17.0       5.3
      18.0      25.0
      27.0       3.7
      28.0      14.1
      29.0       1.7
      30.0      13.7
      39.0       2.3
      40.0       4.9
      41.0      13.7
      42.0     100.0
      43.0      86.9
      44.0      32.8
      45.0       1.2
      53.0       2.1
      54.0       1.2
      55.0       5.8
      56.0       5.1
      57.0       3.4
      58.0       3.3
      60.0       1.2
      67.0       1.6
      68.0       1.3
      69.0      10.8
      70.0       2.7
      71.0       2.2
      72.0       4.4
      73.0       1.2
      81.0       1.3
      82.0       1.0
      83.0       1.9
      84.0      31.7
      85.0       6.4
      86.0       1.4
      87.0       1.7
      95.0       1.0
      97.0       1.2
      98.0       2.8
     111.0       1.1
     112.0      49.8
     113.0      98.5
     114.0       5.9