Understanding the biogenic mechanism of coalbed methane (CBM) requires a deep exploration of the physical and chemical changes that occur in organic matter during the biodegradation process. The present research employs four samples of high-volatile bituminous coal, which were obtained from the Huainan Coal Mine located in Anhui Province, China. The samples serve a purpose in a simulation experiment aimed at investigating the generation of biogenic CBM. In the course of the experiment, X-ray diffraction (XRD) analysis is employed to examine the coal microcrystal structures, whereas Fourier transform infrared (FTIR) spectroscopy serves for the analysis of the chemical structures. The experiment conducted through simulation extended over a period of 80 days, during which the average rate of biogenic CBM generation was measured at 7.43 mL/g. Based on the experimental conditions, it appears that high-volatile bituminous coal shows potential for biogenic applications. XRD results also prove that the distance between aromatic layers (