29676-71-9

2-Aminothiazole-4-acetic acid(29676-71-9) MS

Product Name2-Aminothiazole-4-acetic acid

CAS 29676-71-9

Molecular FormulaC5H6N2O2S

Molecular Weight158.18

InChIInChI=1S/C5H6N2O2S/c6-5-7-3(2-10-5)1-4(8)9/h2H,1H2,(H2,6,7)(H,8,9)

InChIKey DYCLHZPOADTVKK-UHFFFAOYSA-N

SmilesS1C=C(CC(O)=O)N=C1N

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IR1

IR2

2-Aminothiazole-4-acetic acid(29676-71-9) MS
Mass

MS-NW-7824          
2-amino-4-thiazoleacetic acid
C5H6N2O2S           (Mass of molecular ion:    158)

   Source Temperature: 180 °C
   Sample Temperature: 150 °C
   Direct, 75 eV

      16.0       1.0
      27.0       2.1
      28.0       4.8
      38.0       1.2
      39.0       7.3
      40.0       2.5
      41.0       2.4
      42.0      13.0
      43.0      10.2
      44.0      38.5
      45.0      16.6
      46.0       5.7
      47.0       1.1
      54.0       1.4
      55.0       1.0
      57.0       1.6
      59.0       1.0
      60.0       3.7
      61.0       2.4
      67.0       1.1
      69.0       4.1
      70.0       2.0
      71.0      42.2
      72.0      36.8
      73.0       6.3
      74.0       2.3
      81.0       2.3
      86.0       1.3
      87.0       3.1
     113.0       4.6
     114.0     100.0
     115.0       7.0
     116.0       4.6
     158.0       2.8

KBr disc