4-Imidazoleacetic acid hydrochloride(3251-69-2) MS
Product Name4-Imidazoleacetic acid hydrochloride
CAS3251-69-2
Molecular FormulaC5H7ClN2O2
Molecular Weight162.57
InChIInChI=1S/C5H6N2O2.ClH/c8-5(9)1-4-2-6-3-7-4;/h2-3H,1H2,(H,6,7)(H,8,9);1H
InChIKey MWHLCFYPFGFBQO-UHFFFAOYSA-N
SmilesC1(CC(=O)O)N=CNC=1.Cl
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MassMS-NW-4577 4-imidazoleacetic acid hydrochloride C5H6N2O2 HCl (Mass of molecular ion: 126)
Source Temperature: 200 °C Sample Temperature: 130 °C Direct, 75 eV
17.0 1.7 18.0 6.6 26.0 5.3 27.0 6.9 28.0 33.0 29.0 1.3 35.0 2.9 36.0 16.4 37.0 1.2 38.0 5.6 39.0 2.6 40.0 3.3 41.0 3.9 42.0 1.6 44.0 2.4 45.0 4.0 51.0 1.8 52.0 8.6 53.0 8.8 54.0 43.7 55.0 10.5 80.0 3.7 81.0 100.0 82.0 48.3 83.0 3.7 126.0 16.4 127.0 1.7
400MHZ in DMSO-d6
KBr disc
nujol mull
